Biplab Sanyal

Enzyme graphene oxide interaction: the case system of β-lactamases

Piccirilli, Alessandra; Perilli, Mariagrazia; Brisdelli, Fabrizia; Mastrippolito, Dario et al.

Part of RSC Advances, p. 21199-21211, 2025

• DOI for Enzyme graphene oxide interaction: the case system of β-lactamases
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Tuning of spin-transfer torque in VSe₂-based vdW magnetic tunnel junctions by electrode polytypes

Davoudiniya, Masoumeh; Sanyal, Biplab

Part of npj 2D Materials and Applications, 2025

• DOI for Tuning of spin-transfer torque in VSe₂-based vdW magnetic tunnel junctions by electrode polytypes
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Tuning ultrafast demagnetization with ultrashort spin polarized currents in multi-sublattice ferrimagnets

Gupta, Deeksha; Pankratova, Maryna; Riepp, Matthias; Pereiro, Manuel et al.

Part of Nature Communications, 2025

• DOI for Tuning ultrafast demagnetization with ultrashort spin polarized currents in multi-sublattice ferrimagnets
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Discovery of an ultrastable antiferromagnetic two-dimensional CrF₃ phase with anisotropic quasi-one-dimensional mechanical, electronic, and thermal properties

Chen, Xin; Zhou, Fengyi; Suo, Yan; Shao, Cheng et al.

Part of Physical Review B, 2025

• DOI for Discovery of an ultrastable antiferromagnetic two-dimensional CrF₃ phase with anisotropic quasi-one-dimensional mechanical, electronic, and thermal properties

Spin gapped metals: A novel class of materials for multifunctional spintronic devices

Sasioglu, E.; Tas, M.; Ghosh, Sagnik; Beida, W. et al.

Part of Journal of Magnetism and Magnetic Materials, 2025

• DOI for Spin gapped metals: A novel class of materials for multifunctional spintronic devices

Enzyme graphene oxide interaction: the case system of β-lactamases

Piccirilli, Alessandra; Perilli, Mariagrazia; Brisdelli, Fabrizia; Mastrippolito, Dario et al.

Part of RSC Advances, p. 21199-21211, 2025

• DOI for Enzyme graphene oxide interaction: the case system of β-lactamases
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Tuning of spin-transfer torque in VSe₂-based vdW magnetic tunnel junctions by electrode polytypes

Davoudiniya, Masoumeh; Sanyal, Biplab

Part of npj 2D Materials and Applications, 2025

• DOI for Tuning of spin-transfer torque in VSe₂-based vdW magnetic tunnel junctions by electrode polytypes
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Tuning ultrafast demagnetization with ultrashort spin polarized currents in multi-sublattice ferrimagnets

Gupta, Deeksha; Pankratova, Maryna; Riepp, Matthias; Pereiro, Manuel et al.

Part of Nature Communications, 2025

• DOI for Tuning ultrafast demagnetization with ultrashort spin polarized currents in multi-sublattice ferrimagnets
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Discovery of an ultrastable antiferromagnetic two-dimensional CrF₃ phase with anisotropic quasi-one-dimensional mechanical, electronic, and thermal properties

Chen, Xin; Zhou, Fengyi; Suo, Yan; Shao, Cheng et al.

Part of Physical Review B, 2025

• DOI for Discovery of an ultrastable antiferromagnetic two-dimensional CrF₃ phase with anisotropic quasi-one-dimensional mechanical, electronic, and thermal properties

Spin gapped metals: A novel class of materials for multifunctional spintronic devices

Sasioglu, E.; Tas, M.; Ghosh, Sagnik; Beida, W. et al.

Part of Journal of Magnetism and Magnetic Materials, 2025

• DOI for Spin gapped metals: A novel class of materials for multifunctional spintronic devices

Efficient spin filtering through Fe₄GeTe₂-based van der Waals heterostructures

Davoudiniya, Masoumeh; Sanyal, Biplab

Part of Nanoscale Advances, p. 6278-6289, 2024

• DOI for Efficient spin filtering through Fe₄GeTe₂-based van der Waals heterostructures
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Tuning the Electronic and Mechanical Properties of Two-Dimensional Diamond through N and B Doping

Ipaves, Bruno; Justo, Joao F.; Sanyal, Biplab; Assali, Lucy V. C.

Part of ACS APPLIED ELECTRONIC MATERIALS, p. 386-393, 2024

• DOI for Tuning the Electronic and Mechanical Properties of Two-Dimensional Diamond through N and B Doping

Emergence of polar skyrmions in 2D Janus CrInX₃ (X=Se, Te) magnets

Zhou, Fengyi; Shaikh, Monirul; Sun, Weiwei; Chen, Feng et al.

Part of NPJ 2D MATERIALS AND APPLICATIONS, 2024

• DOI for Emergence of polar skyrmions in 2D Janus CrInX₃ (X=Se, Te) magnets
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Possible candidate for the realization of the floating phase in the S=5/2 frustrated spin-chain model: K₃Fe(MoO₄)₂(Mo₂O₇ )

Boya, K.; Nam, K.; Kargeti, K.; Ershadrad, Soheil et al.

Part of Physical Review B, 2024

• DOI for Possible candidate for the realization of the floating phase in the S=5/2 frustrated spin-chain model: K₃Fe(MoO₄)₂(Mo₂O₇ )

Strong In-Plane Magnetization and Spin Polarization in (Co_0.15Fe_0.85)₅GeTe₂/Graphen e van der Waals Heterostructure Spin-Valve at Room Temperature

Ngaloy, Roselle; Zhao, Bing; Ershadrad, Soheil; Gupta, Rahul et al.

Part of ACS Nano, p. 5240-5248, 2024

• DOI for Strong In-Plane Magnetization and Spin Polarization in (Co_0.15Fe_0.85)₅GeTe₂/Graphen e van der Waals Heterostructure Spin-Valve at Room Temperature
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An Ab Initio Study of Monolayer Mn₂Mg₂X₅ (X = S, Se), a Novel Family of 2D Half-Metallic Ferromagnets

Ershadrad, Soheil; Davoudiniya, Masoumeh; Machacova, Nikola; Sanyal, Biplab

Part of Physica status solidi. B, Basic research, 2024

• DOI for An Ab Initio Study of Monolayer Mn₂Mg₂X₅ (X = S, Se), a Novel Family of 2D Half-Metallic Ferromagnets
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Structural distortion and dynamical electron correlation driven enhanced ferromagnetism in Ni-doped two-dimensional Fe₅GeTe₂ beyond room temperature

Ghosh, Sukanya; Ershadrad, Soheil; Sanyal, Biplab

Part of 2D Materials, 2024

• DOI for Structural distortion and dynamical electron correlation driven enhanced ferromagnetism in Ni-doped two-dimensional Fe₅GeTe₂ beyond room temperature
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Manipulation of electrochemical properties of MXene electrodes for supercapacitor applications by chemical and magnetic disorder

Das, Mandira; Murari, Himanshu; Ghosh, Subhradip; Sanyal, Biplab

Part of Nanoscale, p. 1352-1361, 2024

• DOI for Manipulation of electrochemical properties of MXene electrodes for supercapacitor applications by chemical and magnetic disorder

Influence of ab initio derived site-dependent hopping parameters on electronic transport in graphene nanoribbons

Davoudiniya, Masoumeh; Yang, Bo; Sanyal, Biplab

Part of Physical Chemistry, Chemical Physics - PCCP, p. 1936-1949, 2024

• DOI for Influence of ab initio derived site-dependent hopping parameters on electronic transport in graphene nanoribbons
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Optimizing solid electrolytes with 3d transition metal doped Li₃YCl₆ for Li-ion batteries

Paul, Tanmoy; Banerjee, Abhik; Das, G. P.; Sanyal, Biplab

Part of Journal of Physics D, 2024

• DOI for Optimizing solid electrolytes with 3d transition metal doped Li₃YCl₆ for Li-ion batteries

Two-dimensional MSi₂N₄ (M = Ge, Sn, and Pb) monolayers: promising new materials for optoelectronic applications

Varjovi, Mirali Jahangirzadeh; Ershadrad, Soheil; Sanyal, Biplab; Tosoni, Sergio

Part of 2D Materials, 2024

• DOI for Two-dimensional MSi₂N₄ (M = Ge, Sn, and Pb) monolayers: promising new materials for optoelectronic applications
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A Hexagon Based Mn(II) Rod Metal-Organic Framework – Structure, SF6 Gas Sorption, Magnetism and Electrochemistry

Amombo Noa, Francoise M.; Cheung, Ocean; Åhlén, Michelle; Ahlberg, Elisabet et al.

Part of Chemical Communications, p. 2106-2109, 2023

• DOI for A Hexagon Based Mn(II) Rod Metal-Organic Framework – Structure, SF6 Gas Sorption, Magnetism and Electrochemistry
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Observation of defect density dependent elastic modulus of graphene 

Li, Hu; Gürbüz, Emel; Haldar, Soumyajyoti; Hussain, Tanveer et al.

Part of Applied Physics Letters, 2023

• DOI for Observation of defect density dependent elastic modulus of graphene 

Orthorhombic distortion drives orbital ordering in the antiferromagnetic 3d1 Mott insulator PrTiO3

Mandal, Prithwijit; Ojha, Shashank Kumar; Wang, Duo; Patel, Ranjan Kumar et al.

Part of Physical Review B, 2023

• DOI for Orthorhombic distortion drives orbital ordering in the antiferromagnetic 3d1 Mott insulator PrTiO3

Giant spin-splitting and tunable spin-momentum locked transport in room temperature collinear antiferromagnetic semimetallic CrO monolayer

Chen, Xin; Wang, Duo; Li, Linyang; Sanyal, Biplab

Part of Applied Physics Letters, 2023

• DOI for Giant spin-splitting and tunable spin-momentum locked transport in room temperature collinear antiferromagnetic semimetallic CrO monolayer

Structural, vibrational, elastic, electronic, and piezoelectric properties of binary gamma-GeX and ternary gamma-Ge2XX' monolayers (X, X'= S, Se, and Te)

Varjovi, M. Jahangirzadeh; Ershadrad, Soheil; Sanyal, Biplab

Part of Physical Review B, 2023

• DOI for Structural, vibrational, elastic, electronic, and piezoelectric properties of binary gamma-GeX and ternary gamma-Ge2XX' monolayers (X, X'= S, Se, and Te)
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First-principles prediction of energy band gaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation

Gürbüz, Emel; Tas, Murat; Şaşıoğlu, Ersoy; Mertig, Ingrid et al.

Part of Journal of Applied Physics, 2023

• DOI for First-principles prediction of energy band gaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation

Magnetization Dynamics in FexCo1-x in Presence of Chemical Disorder

Sadhukhan, Banasree; Chimata, Raghuveer; Sanyal, Biplab; Mookerjee, Abhijit

Part of MAGNETOCHEMISTRY, 2023

• DOI for Magnetization Dynamics in FexCo1-x in Presence of Chemical Disorder
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Structural and magnetic properties of amorphous Co_xZr_100-x films

Rani, Parul; Kurichenko, Vladislav; Gürbüz, Emel; Sanyal, Biplab et al.

Part of Physical Review B, 2023

• DOI for Structural and magnetic properties of amorphous Co_xZr_100-x films
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Nonequilibrium Phonon Dynamics and Its Impact on the Thermal Conductivity of the Benchmark Thermoelectric Material SnSe

Prasad, Amit Kumar; Sebesta, Jakub; Esteban-Puyuelo, Raquel; Maldonado, Pablo et al.

Part of ACS Nano, p. 21006-21017, 2023

• DOI for Nonequilibrium Phonon Dynamics and Its Impact on the Thermal Conductivity of the Benchmark Thermoelectric Material SnSe
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Spin-polarized two-dimensional electron/hole gas at the interface of nonmagnetic semiconducting half-Heusler compounds: Modified Slater-Pauling rule for half-metallicity at the interface

Gürbüz, Emel; Ghosh, Sukanya; Şaşıoğlu, Ersoy; Galanakis, Iosif et al.

Part of Physical Review Materials, 2023

• DOI for Spin-polarized two-dimensional electron/hole gas at the interface of nonmagnetic semiconducting half-Heusler compounds: Modified Slater-Pauling rule for half-metallicity at the interface

A Room-Temperature Spin-Valve with van der Waals Ferromagnet Fe5GeTe2/Graphene Heterostructure

Zhao, Bing; Ngaloy, Roselle; Ghosh, Sukanya; Ershadrad, Soheil et al.

Part of Advanced Materials, 2023

• DOI for A Room-Temperature Spin-Valve with van der Waals Ferromagnet Fe5GeTe2/Graphene Heterostructure
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Tuning of lattice thermal conductivity of amorphous Fe_0.85Zr_0.15 by nanostructured voids, pressure and temperature

Gürbüz, Emel; Sanyal, Biplab

Part of Journal of Non-Crystalline Solids, 2023

• DOI for Tuning of lattice thermal conductivity of amorphous Fe_0.85Zr_0.15 by nanostructured voids, pressure and temperature
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Unraveling effects of electron correlation in two-dimensional Fe_nGeTe₂ (n=3, 4, 5) by dynamical mean field theory

Ghosh, Sukanya; Ershadrad, Soheil; Borisov, Vladislav; Sanyal, Biplab

Part of npj Computational Materials, 2023

• DOI for Unraveling effects of electron correlation in two-dimensional Fe_nGeTe₂ (n=3, 4, 5) by dynamical mean field theory
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Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions

Ershadrad, Soheil; Ghosh, Sukanya; Wang, Duo; Kvashnin, Yaroslav et al.

Part of The Journal of Physical Chemistry Letters, p. 4877-4883, 2022

• DOI for Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions
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Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice

Cossu, Fabrizio; Kim, Heung-Sik; Sanyal, Biplab; Di Marco, Igor

Part of npj Computational Materials, 2022

• DOI for Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice
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Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides

Yu, Yawei; Chen, Xingqi; Liu, Xiaobiao; Li, Jia et al.

Part of Physical Review B, 2022

• DOI for Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides

Quasiperiodic Van der Waals Heterostructures of Graphene and Hexagonal Boron Nitride

Bhandary, Sumanta; Haldar, Soumyajyoti; Sanyal, Biplab

Part of Physica status solidi. B, Basic research, 2022

• DOI for Quasiperiodic Van der Waals Heterostructures of Graphene and Hexagonal Boron Nitride
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Weak antilocalization and electron-electron interactions in topological insulator BixTey films deposited by sputtering on Si(100)

Pandey, Lalit; Husain, Sajid; Chen, Xin; Barwal, Vineet et al.

Part of Physical Review Materials, 2022

• DOI for Weak antilocalization and electron-electron interactions in topological insulator BixTey films deposited by sputtering on Si(100)

Large Dzyaloshinskii-Moriya interaction and atomic layer thickness dependence in a ferromagnet-WS2 heterostructure

Husain, Sajid; Pal, Sreya; Chen, Xingqi; Kumar, Prabhat et al.

Part of Physical Review B, 2022

• DOI for Large Dzyaloshinskii-Moriya interaction and atomic layer thickness dependence in a ferromagnet-WS2 heterostructure

Ultralow thermal conductivity and anisotropic thermoelectric performance in layered materials LaMOCh (M = Cu, Ag; Ch = S, Se)

Ma, Jiang-Jiang; Liu, Qing-Yi; Liu, Peng-Fei; Zhang, Ping et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 21261-21269, 2022

• DOI for Ultralow thermal conductivity and anisotropic thermoelectric performance in layered materials LaMOCh (M = Cu, Ag; Ch = S, Se)

Strain-driven antiferromagnetic exchange interaction in SrMnO₃ probed by phase-shifted spin Hall magnetoresistance

van Rijn, J. J. L.; Wang, Duo; Sanyal, Biplab; Banerjee, T.

Part of Physical Review B, 2022

• DOI for Strain-driven antiferromagnetic exchange interaction in SrMnO₃ probed by phase-shifted spin Hall magnetoresistance

Vacancy assisted growth of copper tantalum sulfide nanocrystals

Haque, Anamul; Ershadrad, Soheil; Chonamada, Trupthi Devaiah; Saha, Dipankar et al.

Part of Journal of Materials Chemistry A, p. 19925-19934, 2022

• DOI for Vacancy assisted growth of copper tantalum sulfide nanocrystals

Efficient parameterisation of non-collinear energy landscapes in itinerant magnets

Jacobsson, A.; Johansson, G.; Gorbatov, O. ; Lezaic, M. et al.

Part of Scientific Reports, 2022

• DOI for Efficient parameterisation of non-collinear energy landscapes in itinerant magnets
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Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones

Chen, Xin; Li, Linyang; Peeters, Francois M.; Sanyal, Biplab

Part of New Journal of Physics, 2021

• DOI for Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones
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Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism

Wang, Duo; Sanyal, Biplab

Part of The Journal of Physical Chemistry C, p. 18467-18473, 2021

• DOI for Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism
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Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor

Chen, Xingqi; Esteban-Puyuelo, Raquel; Li, Linyang; Sanyal, Biplab

Part of Physical Review B, 2021

• DOI for Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor
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Prediction of half-metallic ferrimagnetic quadruple perovskites ACu(3)Fe(2)Re(2)O(12) (A = Ca, Sr, Ba, Pb, Sc, Y, La) with high Curie temperatures

Wang, Duo; Shaikh, Monirul; Ghosh, Saurabh; Sanyal, Biplab

Part of Physical Review Materials, 2021

• DOI for Prediction of half-metallic ferrimagnetic quadruple perovskites ACu(3)Fe(2)Re(2)O(12) (A = Ca, Sr, Ba, Pb, Sc, Y, La) with high Curie temperatures
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Unraveling complex magnetism in two-dimensional FeS₂

Wang, Duo; Chen, Xin; Sanyal, Biplab

Part of Physical Review B, 2021

• DOI for Unraveling complex magnetism in two-dimensional FeS₂
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Role of defects in ultrafast charge recombination in monolayer MoS₂

Esteban-Puyuelo, Raquel; Sanyal, Biplab

Part of Physical Review B, 2021

• DOI for Role of defects in ultrafast charge recombination in monolayer MoS₂
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Realizing ferromagnetic insulators in electron doped double perovskites Sr(2-x)AxMnVO(6); A = Sn, Bi

Rahmani, Neda; Ghazi, M. E.; Izadifard, Morteza; Sanyal, Biplab

Part of Journal of Magnetism and Magnetic Materials, 2021

• DOI for Realizing ferromagnetic insulators in electron doped double perovskites Sr(2-x)AxMnVO(6); A = Sn, Bi

Adsorption characteristics of amino acids on graphene and germanene using dispersion-corrected density functional theory

Ayatollahi, Azadeh; Roknabadi, Mahmood Rezaee; Behdani, Mohammad; Shahtahmassebi, Nasser et al.

Part of Physica. E, Low-Dimensional systems and nanostructures, 2021

• DOI for Adsorption characteristics of amino acids on graphene and germanene using dispersion-corrected density functional theory

Revisiting the Optical Dispersion of Aluminum-Doped Zinc Oxide: New Perspectives for Plasmonics and Metamaterials

Shabani, Alireza; Nezhad, Mehdi Khazaei; Rahmani, Neda; Mishra, Yogendra Kumar et al.

Part of ADVANCED PHOTONICS RESEARCH, 2021

• DOI for Revisiting the Optical Dispersion of Aluminum-Doped Zinc Oxide: New Perspectives for Plasmonics and Metamaterials
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Two-Dimensional Square-A(2)B (A = Cu, Ag, Au, and B = S, Se): Auxetic Semiconductors with High Carrier Mobilities and Unusually Low Lattice Thermal Conductivities

Chen, Xin; Wang, Duo; Liu, Xiaobiao; Li, Linyang et al.

Part of The Journal of Physical Chemistry Letters, p. 2925-2933, 2020

• DOI for Two-Dimensional Square-A(2)B (A = Cu, Ag, Au, and B = S, Se): Auxetic Semiconductors with High Carrier Mobilities and Unusually Low Lattice Thermal Conductivities

Magneto-structural correlations in a systematically disordered B2 lattice

Ehrler, Jonathan; Sanyal, Biplab; Grenzer, Joerg; Zhou, Shengqiang et al.

Part of New Journal of Physics, 2020

• DOI for Magneto-structural correlations in a systematically disordered B2 lattice
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Manipulation of Electronic and Magnetic Properties of 3d Transition Metal (Cr, Mn, Fe) Hexamers on Graphene with Vacancy Defects: Insights from First-Principles Theory

Chen, Xin; Liu, Yuhang; Sanyal, Biplab

Part of The Journal of Physical Chemistry C, p. 4270-4278, 2020

• DOI for Manipulation of Electronic and Magnetic Properties of 3d Transition Metal (Cr, Mn, Fe) Hexamers on Graphene with Vacancy Defects: Insights from First-Principles Theory

Partial cation ordering, relaxor ferroelectricity, and ferrimagnetism in Pb(Fe1-xYbx)(2/3)W1/3O3 solid solutions

Ivanov, Sergey; Joshi, Deep C.; Bush, A. A.; Wang, Duo et al.

Part of Journal of Applied Physics, 2020

• DOI for Partial cation ordering, relaxor ferroelectricity, and ferrimagnetism in Pb(Fe1-xYbx)(2/3)W1/3O3 solid solutions
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Large Damping-Like Spin–Orbit Torque in a 2D Conductive 1T-TaS₂ Monolayer

Husain, Sajid; Chen, Xin; Gupta, Rahul; Behera, Nilamani et al.

Part of Nano letters (Print), p. 6372-6380, 2020

• DOI for Large Damping-Like Spin–Orbit Torque in a 2D Conductive 1T-TaS₂ Monolayer
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Direct Writing of Lateral Fluorographene Nanopatterns with Tunable Bandgaps and Its Application in New Generation of Moiré Superlattice

Li, Hu; Duan, Tianbo; Haldar, Soumyajyoti; Sanyal, Biplab et al.

Part of Applied Physics Reviews, 2020

• DOI for Direct Writing of Lateral Fluorographene Nanopatterns with Tunable Bandgaps and Its Application in New Generation of Moiré Superlattice

Complexity of mixed allotropes of MoS2 unraveled by first-principles theory

Esteban-Puyuelo, Raquel; Sarma, D. D.; Sanyal, Biplab

Part of Physical Review B, 2020

• DOI for Complexity of mixed allotropes of MoS2 unraveled by first-principles theory
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Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization

Esteban-Puyuelo, Raquel; Sonkar, Rajat Kumar; Pujari, Bhalchandra; Grånäs, Oscar et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 8212-8218, 2020

• DOI for Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization

Chemical Switching of the Magnetic Coupling in a MnPc Dimer by Means of Chemisorption and Axial Ligands

Brena, Barbara; Sanyal, Biplab; Herper, Heike C.

Part of The Journal of Physical Chemistry C, p. 27185-27193, 2020

• DOI for Chemical Switching of the Magnetic Coupling in a MnPc Dimer by Means of Chemisorption and Axial Ligands
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Unveiling Temperature-Induced Structural Domains and Movement of Oxygen Vacancies in SrTiO3 with Graphene

Chen, Si; Chen, Xin; Duijnstee, Elisabeth A.; Sanyal, Biplab et al.

Part of ACS Applied Materials and Interfaces, p. 52915-52921, 2020

• DOI for Unveiling Temperature-Induced Structural Domains and Movement of Oxygen Vacancies in SrTiO3 with Graphene
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Spontaneous ferromagnetism and finite surface energy gap in the topological insulator Bi2Se3 from surface Bi-se antisite defects

Nahas, Suhas; Sanyal, Biplab; Black-Schaffer, Annica M.

Part of Physical Review B, 2020

• DOI for Spontaneous ferromagnetism and finite surface energy gap in the topological insulator Bi2Se3 from surface Bi-se antisite defects
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PAI-graphene: A new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones

Chen, Xin; Bouhon, Adrien; Li, Linyang; Peeters, François M. et al.

Part of Carbon, p. 477-486, 2020

• DOI for PAI-graphene: A new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones
• Download full text (pdf) of PAI-graphene: A new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones

Monolayer 1T-LaN2: Dirac spin-gapless semiconductor of p-state and Chern insulator with a high Chern number

Li, Linyang; Kong, Xiangru; Chen, Xin; Li, Jia et al.

Part of Applied Physics Letters, 2020

• DOI for Monolayer 1T-LaN2: Dirac spin-gapless semiconductor of p-state and Chern insulator with a high Chern number

Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects

Johansson, Fredrik O. L.; Chen, Xin; Eriksson, Olle; Sanyal, Biplab et al.

Part of Physical Review B, 2020

• DOI for Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects
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Oxygen vacancy in ZnO-w phase: pseudohybrid Hubbard density functional study

Vrubel, Ivan I.; Pervishko, Anastasiia A.; Yudin, Dmitry; Sanyal, Biplab et al.

Part of Journal of Physics, 2020

• DOI for Oxygen vacancy in ZnO-w phase: pseudohybrid Hubbard density functional study

Phonons in magnetically disordered materials: Magnetic versus phononic time scales

Dutta, Biswanath; Koermann, Fritz; Ghosh, Subhradip; Sanyal, Biplab et al.

Part of Physical Review B, 2020

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Enhancement of photovoltaic efficiency in CdSexTe1-x (where 0 <= x <= 1): insights from density functional theory

Watts, Michael J.; Fiducia, Thomas A. M.; Sanyal, Biplab; Smith, Roger et al.

Part of Journal of Physics, 2020

• DOI for Enhancement of photovoltaic efficiency in CdSexTe1-x (where 0 <= x <= 1): insights from density functional theory

Density functional investigations on the adsorption characteristics of nucleobases on germanene nanoribbons

Ayatollahi, Azadeh; Roknabadi, Mahmood Rezaee; Behdani, Mohammad; Shahtahmassebi, Nasser et al.

Part of Physica. E, Low-Dimensional systems and nanostructures, 2020

• DOI for Density functional investigations on the adsorption characteristics of nucleobases on germanene nanoribbons

Density functional study of structural, electronic and magnetic properties of new half-metallic ferromagnetic double perovskite Sr2MnVO6

Rahmani, Neda; Ghazi, M. E.; Izadifard, Morteza; Wang, Duo et al.

Part of Journal of Physics, 2019

• DOI for Density functional study of structural, electronic and magnetic properties of new half-metallic ferromagnetic double perovskite Sr2MnVO6

Optical Properties of Au-Doped Titanium Nitride Nanostructures: a Connection Between Density Functional Theory and Finite-Difference Time-Domain Method

Shabani, Alireza; Nezhad, Mehdi Khazaei; Rahmani, Neda; Roknabadi, Mahmood Rezaee et al.

Part of Plasmonics, p. 1871-1879, 2019

• DOI for Optical Properties of Au-Doped Titanium Nitride Nanostructures: a Connection Between Density Functional Theory and Finite-Difference Time-Domain Method

Materials Compatibility in Rechargeable Aluminum Batteries: Chemical and Electrochemical Properties between Vanadium Pentoxide and Chloroaluminate Ionic Liquids

Wen, Xiaoyu; Liu, Yuhang; Jadhav, Ankur; Zhang, Jian et al.

Part of Chemistry of Materials, p. 7238-7247, 2019

• DOI for Materials Compatibility in Rechargeable Aluminum Batteries: Chemical and Electrochemical Properties between Vanadium Pentoxide and Chloroaluminate Ionic Liquids

Cation ordering, ferrimagnetism and ferroelectric relaxor behavior in Pb(Fe1-xScx)(2/3)W1/3O3 solid solutions

Ivanov, Sergey; Beran, Premysl; Bush, Alexandr A.; Sarkar, Tapati et al.

Part of European Physical Journal B, 2019

• DOI for Cation ordering, ferrimagnetism and ferroelectric relaxor behavior in Pb(Fe1-xScx)(2/3)W1/3O3 solid solutions
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Enhanced Gilbert damping in Re-doped FeCo films: Combined experimental and theoretical study

Akansel, Serkan; Kumar, Ankit; Venugopal, Vijayaharan A.; Esteban-Puyuelo, Raquel et al.

Part of Physical Review B, 2019

• DOI for Enhanced Gilbert damping in Re-doped FeCo films: Combined experimental and theoretical study

Ligand effects on the linear response Hubbard U: The case of transition metal phthalocyanines

Brumboiu, Iulia Emilia; Haldar, Soumyajyoti; Lüder, Johann; Eriksson, Olle et al.

Part of Journal of Physical Chemistry A, p. 3214-3222, 2019

• DOI for Ligand effects on the linear response Hubbard U: The case of transition metal phthalocyanines

Charge transfer-tuned magnetism in Nd-substituted Gd₅Si₄

Kou, R. H.; Gao, J.; Ren, Y.; Sanyal, Biplab et al.

Part of AIP Advances, 2018

• DOI for Charge transfer-tuned magnetism in Nd-substituted Gd₅Si₄
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Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces

Vovusha, Hakkim; Amorim, Rodrigo G.; Scheicher, Ralph H.; Sanyal, Biplab

Part of RSC Advances, p. 6527-6531, 2018

• DOI for Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces
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Investigation of the spectral properties and magnetism of BiFeO3 by dynamical mean-field theory

Paul, Souvik; Iusan, Diana; Thunström, Patrik; Kvashnin, Yaroslav et al.

Part of Physical Review B, 2018

• DOI for Investigation of the spectral properties and magnetism of BiFeO3 by dynamical mean-field theory

Magnetic properties of Ruddlesden-Popper phases Sr3-&: A combined experimental and theoretical investigation

Keshavarz, Samara; Kontos, Sofia; Wardecki, Dariusz; Kvashnin, Yaroslav et al.

Part of Physical Review Materials, 2018

• DOI for Magnetic properties of Ruddlesden-Popper phases Sr3-&: A combined experimental and theoretical investigation

Binding Characteristics of Anticancer Drug Doxorubicin with Two-Dimensional Graphene and Graphene Oxide: Insights from Density Functional Theory Calculations and Fluorescence Spectroscopy

Vovusha, Hakkim; Banerjee, Debapriya; Yadav, Manoj Kumar; Perrozzi, Francesco et al.

Part of The Journal of Physical Chemistry C, p. 21031-21038, 2018

• DOI for Binding Characteristics of Anticancer Drug Doxorubicin with Two-Dimensional Graphene and Graphene Oxide: Insights from Density Functional Theory Calculations and Fluorescence Spectroscopy

Functional Dirac Materials: Status and Perspectives

Balatsky, Alexander V.; Brena, Barbara; Herper, Heike C.; Sanyal, Biplab

Part of Physica Status Solidi. Rapid Research Letters, 2018

• DOI for Functional Dirac Materials: Status and Perspectives

Comparative study of electronic and magnetic properties of iron and cobalt phthalocyanine molecules physisorbed on two-dimensional MoS2 and graphene

Haldar, Soumyajyoti; Bhandary, Sumanta; Vovusha, Hakkim; Sanyal, Biplab

Part of Physical Review B, 2018

• DOI for Comparative study of electronic and magnetic properties of iron and cobalt phthalocyanine molecules physisorbed on two-dimensional MoS2 and graphene

Local probe of irradiation-induced structural changes and orbital magnetism in Fe60Al40 thin films via an order-disorder phase transition

La Torre, Enrico; Smekhova, Alevtina; Schmitz-Antoniak, Carolin; Ollefs, Katharina et al.

Part of Physical Review B, 2018

• DOI for Local probe of irradiation-induced structural changes and orbital magnetism in Fe60Al40 thin films via an order-disorder phase transition

Suppression of the Verwey Transition by Charge Trapping

Schmitz-Antoniak, Carolin; Schmitz, Detlef; Warland, Anne; Darbandi, Masih et al.

Part of Annalen der Physik, 2018

• DOI for Suppression of the Verwey Transition by Charge Trapping
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Dependence of homo-lumo gap of DNA base pair steps on twist angle: A density fuctional approach

Samanta, Sudipta; Raghunathan, Devanathan; Mukherjee, Sanchita; Sanyal, Biplab

Part of Journal of biological systems, p. 23-40, 2018

• DOI for Dependence of homo-lumo gap of DNA base pair steps on twist angle: A density fuctional approach

New quaternary half-metallic ferromagnets with large Curie temperatures

Kundu, Ashis; Ghosh, Srikrishna; Banerjee, Rudra; Ghosh, Subhradip et al.

Part of Scientific Reports, 2017

• DOI for New quaternary half-metallic ferromagnets with large Curie temperatures
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Atomic-scale engineering of ferroelectric-ferromagnetic interfaces of epitaxial perovskite films for functional properties

Hausmann, Simon; Ye, Jingfan; Aoki, Toshihiro; Zheng, Jian-Guo et al.

Part of Scientific Reports, 2017

• DOI for Atomic-scale engineering of ferroelectric-ferromagnetic interfaces of epitaxial perovskite films for functional properties
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Theory of L-edge spectroscopy of strongly correlated systems

Lüder, Johann; Schött, Johan; Brena, Barbara; Haverkort, Maurits W. et al.

Part of Physical Review B, 2017

• DOI for Theory of L-edge spectroscopy of strongly correlated systems

Exchange interactions of CaMnO3 in the bulk and at the surface

Keshavarz, Samara; Kvashnin, Yaroslav O.; Rodrigues, Debora C. M.; Pereiro, Manuel et al.

Part of Physical Review B Condensed Matter, 2017

• DOI for Exchange interactions of CaMnO3 in the bulk and at the surface

Magnetism and ultrafast magnetization dynamics of Co and CoMn alloys at finite temperature

Chimata, Raghuveer; Delczeg-Czirjak, Erna Krisztina; Szilva, Attila; Cardias, R. et al.

Part of Physical review B, 2017

• DOI for Magnetism and ultrafast magnetization dynamics of Co and CoMn alloys at finite temperature

A systematic study of 4d and 5d transition metal mediated exchange coupling between Fe and Gd nanolaminates

Autieri, Carmine; Sanyal, Biplab

Part of Journal of Physics, 2017

• DOI for A systematic study of 4d and 5d transition metal mediated exchange coupling between Fe and Gd nanolaminates

Gap opening and large spin–orbit splitting in MX₂ (M = Mo,W; X = S,Se,Te) from the interplay between crystal field and hybridisations: insights from ab-initio theory

Autieri, Carmine; Bouhon, Adrien; Sanyal, Biplab

Part of Philosophical Magazine, p. 3381-3395, 2017

• DOI for Gap opening and large spin–orbit splitting in MX₂ (M = Mo,W; X = S,Se,Te) from the interplay between crystal field and hybridisations: insights from ab-initio theory

Evolution of the structural and multiferroic properties of PbFe2/3W1/3O3 ceramics upon Mn-doping

Ivanov, Sergey A.; Bush, A. A.; Ritter, C.; Behtin, M. A. et al.

Part of Materials Chemistry and Physics, p. 218-232, 2017

• DOI for Evolution of the structural and multiferroic properties of PbFe2/3W1/3O3 ceramics upon Mn-doping

Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces

Shibuya, Taizo; Yasuoka, Kenji; Mirbt, Susanne; Sanyal, Biplab

Part of The Journal of Physical Chemistry C, p. 11325-11334, 2017

• DOI for Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces

Carbon-rich carbon nitride monolayers with Dirac cones: Dumbbell C4N

Li, Linyang; Kong, Xiangru; Leenaerts, Ortwin; Chen, Xin et al.

Part of Carbon, p. 285-290, 2017

• DOI for Carbon-rich carbon nitride monolayers with Dirac cones: Dumbbell C4N

Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene

Papadakis, Raffaello; Li, Hu; Bergman, Joakim; Lundstedt, Anna et al.

Part of Nature Communications, 2016

• DOI for Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene
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Recipe for High Moment Materials with Rare-earth and 3d Transition Metal Composites

Autieri, Carmine; Kumar, P. Anil; Walecki, Dirk; Webers, Samira et al.

Part of Scientific Reports, 2016

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Energetic stability, STM fingerprints and electronic transport properties of defects in graphene and silicene

Haldar, Soumyajyoti; Amorim, Rodrigo Garcia; Sanyal, Biplab; Scheicher, Ralph.H et al.

Part of RSC Advances, p. 6702-6708, 2016

• DOI for Energetic stability, STM fingerprints and electronic transport properties of defects in graphene and silicene

Site-selective local fluorination of graphene induced by focused ion beam irradiation

Li, Hu; Daukiya, Lakshya; Haldar, Soumyajyoti; Lindblad, Andreas et al.

Part of Scientific Reports, 2016

• DOI for Site-selective local fluorination of graphene induced by focused ion beam irradiation
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Magnetism and exchange interaction of small rare-earth clusters: Tb as a representative

Peters, Lars; Ghosh, Saurabh; Sanyal, Biplab; van Dijk, Chris et al.

Part of Scientific Reports, 2016

• DOI for Magnetism and exchange interaction of small rare-earth clusters: Tb as a representative

Effect of Fe doping in the structural, electronic and magnetic properties of CoCr2O4: insights from ab initio calculations

Das, Debashish; Ganguly, Shreemoyee; Sanyal, Biplab; Ghosh, Subhradip

Part of Materials Research Express, 2016

• DOI for Effect of Fe doping in the structural, electronic and magnetic properties of CoCr2O4: insights from ab initio calculations

Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

Yadav, Manoj Kumar; Vovusha, Hakkim; Sanyal, Biplab

Part of Computational and Theoretical Chemistry, p. 165-170, 2016

• DOI for Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

Side-selective self-assembly of graphene and FLG on piezoelectric PVDF from suspension

Nordlund, Michael; Bhandary, Sumanta; Sanyal, Biplab; Almqvist, Nils et al.

Part of Journal of Physics D, 2016

• DOI for Side-selective self-assembly of graphene and FLG on piezoelectric PVDF from suspension
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Many-body effects and excitonic features in 2D biphenylene carbon

Lüder, Johann; Puglia, Carla; Ottosson, Henrik; Eriksson, Olle et al.

Part of Journal of Chemical Physics, 2016

• DOI for Many-body effects and excitonic features in 2D biphenylene carbon

High resistivity in undoped CdTe: carrier compensation of Te antisites and Cd vacancies

Lindström, A.; Mirbt, Susanne; Sanyal, Biplab; Klintenberg, Mattias

Part of Journal of Physics D, 2016

• DOI for High resistivity in undoped CdTe: carrier compensation of Te antisites and Cd vacancies

Polar Order and Frustrated Antiferromagnetism in Perovskite Pb2MnWO6 Single Crystals.

Ivanov, Sergey A; Bush, Alexander A; Stash, Adam I; Kamentsev, Konstantin E et al.

Part of Inorganic Chemistry, p. 2791-2805, 2016

• DOI for Polar Order and Frustrated Antiferromagnetism in Perovskite Pb2MnWO6 Single Crystals.

Correlated electron behavior of metal-organic molecules: Insights from density functional theory combined with many-body effects using exact diagonalization

Bhandary, Sumanta; Schueler, Malte; Thunstroem, Patrik; di Marco, Igor et al.

Part of PHYSICAL REVIEW B, 2016

• DOI for Correlated electron behavior of metal-organic molecules: Insights from density functional theory combined with many-body effects using exact diagonalization

Influence of Electron Correlation on the Electronic Structure and Magnetism of Transition-Metal Phthalocyanines

Brumboiu, Iulia Emilia; Haldar, Soumyajyoti; Luder, Johann; Eriksson, Olle et al.

Part of Journal of Chemical Theory and Computation, p. 1772-1785, 2016

• DOI for Influence of Electron Correlation on the Electronic Structure and Magnetism of Transition-Metal Phthalocyanines

Electronic structure and exchange interactions of insulating double perovskite La2CuRuO6

Panda, Swarup K.; Kvashnin, Yaroslav O.; Sanyal, Biplab; Dasgupta, I. et al.

Part of PHYSICAL REVIEW B, 2016

• DOI for Electronic structure and exchange interactions of insulating double perovskite La2CuRuO6

Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles

Lindström, Anna; Klintenberg, Mattias; Sanyal, Biplab; Mirbt, Susanne

Part of AIP Advances, 2015

• DOI for Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles
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DFT and TD-DFT studies on the electronic and optical properties of explosive molecules adsorbed on boron nitride and graphene nano flakes

Vovusha, Hakkim; Sanyal, Biplab

Part of RSC Advances, p. 4599-4608, 2015

• DOI for DFT and TD-DFT studies on the electronic and optical properties of explosive molecules adsorbed on boron nitride and graphene nano flakes

Adsorption of nucleobases on 2D transition-metal dichalcogenides and graphene sheet: a first principles density functional theory study

Vovusha, Hakkim; Sanyal, Biplab

Part of RSC Advances, p. 67427-67434, 2015

• DOI for Adsorption of nucleobases on 2D transition-metal dichalcogenides and graphene sheet: a first principles density functional theory study

Small hole polaron in CdTe: Cd-vacancy revisited

Shepidchenko, Anna; Sanyal, Biplab; Klintenberg, Mattias; Mirbt, Susanne

Part of Scientific Reports, 2015

• DOI for Small hole polaron in CdTe: Cd-vacancy revisited
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Interface control of electronic transport across the magnetic phase transition in SrRuO3/SrTiO3 heterointerface

Roy, S.; Autieri, Carmine; Sanyal, Biplab; Banerjee, T.

Part of Scientific Reports, 2015

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Controlling Electronic Structure and Transport Properties of Zigzag Graphene Nanoribbons by Edge Functionalization with Fluorine

Bhandary, Sumanta; Penazzi, Gabriele; Fransson, Jonas; Frauenheim, Thomas et al.

Part of The Journal of Physical Chemistry C, p. 21227-21233, 2015

• DOI for Controlling Electronic Structure and Transport Properties of Zigzag Graphene Nanoribbons by Edge Functionalization with Fluorine

Systematic study of structural, electronic, and optical properties of atomic-scale defects in the two-dimensional transition metal dichalcogenides MX₂ (M=Mo, W; X=S, Se, Te)

Haldar, Soumyajyoti; Vovusha, Hakkim; Yadav, Manoj Kumar; Eriksson, Olle et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2015

• DOI for Systematic study of structural, electronic, and optical properties of atomic-scale defects in the two-dimensional transition metal dichalcogenides MX₂ (M=Mo, W; X=S, Se, Te)

Overcoming magnetic frustration and promoting half-metallicity in spinel CoCr2O4 by doping with Fe

Ganguly, Shreemoyee; Chimata, Raghuveer; Sanyal, Biplab

Part of Physical Review B. Condensed Matter and Materials Physics, 2015

• DOI for Overcoming magnetic frustration and promoting half-metallicity in spinel CoCr2O4 by doping with Fe

Electronic structure and spectroscopic properties of 6-aminophenanthridine and its derivatives: Insights from density functional theory

Vovusha, Hakkim; Banerjee, Debapriya; Oumata, Nassima; Sanyal, Biplab et al.

Part of International Journal of Quantum Chemistry, p. 846-852, 2015

• DOI for Electronic structure and spectroscopic properties of 6-aminophenanthridine and its derivatives: Insights from density functional theory

First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors

Jakobsson, Adam; Mavropoulos, Phivos; Sasioglu, Erzoy; Blugel, Stephan et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2015

• DOI for First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors

Valence and spectral properties of rare-earth clusters

Peters, L.; Di Marco, Igor; Litsarev, M. S.; Delin, Anna et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2015

• DOI for Valence and spectral properties of rare-earth clusters

First principles study of thermoelectric properties of Li-based half-Heusler alloys

Yadav, Manoj K.; Sanyal, Biplab

Part of Journal of Alloys and Compounds, p. 388-393, 2015

• DOI for First principles study of thermoelectric properties of Li-based half-Heusler alloys

Large enhancement of magnetic moment in L1(0) ordered FePt thin films by Nd substitutional doping

Xu, D. B.; Sun, C. J.; Chen, J. S.; Heald, S. M. et al.

Part of Journal of Physics D, 2015

• DOI for Large enhancement of magnetic moment in L1(0) ordered FePt thin films by Nd substitutional doping

The electronic characterization of biphenylene-Experimental and theoretical insights from core and valence level spectroscopy

Luder, Johann; de Simone, Monica; Totani, Roberta; Coreno, Marcello et al.

Part of Journal of Chemical Physics, 2015

• DOI for The electronic characterization of biphenylene-Experimental and theoretical insights from core and valence level spectroscopy

Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state

Ganguly, Shreemoyee; Kabir, Mukul; Autieri, Carmine; Sanyal, Biplab

Part of Journal of Physics, 2015

• DOI for Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state

First-principles study of the lattice instabilities in Mn2NiX (X = Al, Ga, In, Sn) magnetic shape memory alloys

Paul, Souvik; Sanyal, Biplab; Ghosh, Subhradip

Part of Journal of Physics, 2015

• DOI for First-principles study of the lattice instabilities in Mn2NiX (X = Al, Ga, In, Sn) magnetic shape memory alloys

All-thermal switching of amorphous Gd-Fe alloys: Analysis of structural properties and magnetization dynamics

Chimata, Raghuveer; Isaeva, Leyla; Kadas, Krisztina; Bergman, Anders et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2015

• DOI for All-thermal switching of amorphous Gd-Fe alloys: Analysis of structural properties and magnetization dynamics

Unusual ferromagnetic YMnO3 phase in YMnO3/La2/3Sr1/3MnO3 heterostructures

Autieri, Carmine; Sanyal, Biplab

Part of New Journal of Physics, p. 113031, 2014

• DOI for Unusual ferromagnetic YMnO3 phase in YMnO3/La2/3Sr1/3MnO3 heterostructures
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The dipole moment of the spin density as a local indicator for phase transitions

Schmitz, D.; Schmitz-Antoniak, C.; Warland, A.; Darbandi, M. et al.

Part of Scientific Reports, p. 5760, 2014

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First-principles study of thermoelectric properties of CuI

Yadav, Manoj K.; Sanyal, Biplab

Part of Materials Research Express, 2014

• DOI for First-principles study of thermoelectric properties of CuI

Materials modelling for energy and fuels: From photovoltaics to photocatalysis

Shibuya, Taizo; Yasuoka, Kenji; Mirbt, Susanne; Sanyal, Biplab et al.

Part of Abstracts of Papers of the American Chemical Society, 2014

Excess electron trapping at surface oxygen vacancy in TiO2: Origin of STM anomaly

Shibuya, Taizo; Yasuoka, Kenji; Mirbt, Susanne; Sanyal, Biplab

Part of Abstracts of Papers of the American Chemical Society, 2014

Spectroscopic and DFT studies on 6-Aminophenanthridine and its derivatives provide insights in their activity towards ribosomal RNA

Banerjee, Debapriya; Vovusha, Hakkim; Pang, Yanhong; Oumata, Nassima et al.

Part of Biochimie, p. 194-199, 2014

• DOI for Spectroscopic and DFT studies on 6-Aminophenanthridine and its derivatives provide insights in their activity towards ribosomal RNA

Elucidating the 3d Electronic Configuration in Manganese Phthalocyanine

Brumboiu, Iulia Emilia; Totani, Roberta; de Simone, Monica; Coreno, Marcello et al.

Part of Journal of Physical Chemistry A, p. 927-932, 2014

• DOI for Elucidating the 3d Electronic Configuration in Manganese Phthalocyanine

Field-regulated switching of the magnetization of Co-porphyrin on graphene

Klar, D.; Bhandary, Sumanta; Candini, A.; Joly, L. et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 144411, 2014

• DOI for Field-regulated switching of the magnetization of Co-porphyrin on graphene

Study of the effect of short ranged ordering on the magnetism in FeCr alloys

Jena, Ambika Prasad; Sanyal, Biplab; Mookerjee, Abhijit

Part of Journal of Magnetism and Magnetic Materials, p. 156-158, 2014

• DOI for Study of the effect of short ranged ordering on the magnetism in FeCr alloys

Bipolaron Formation Induced by Oxygen Vacancy at Rutile TiO2(110) Surfaces

Shibuya, Taizo; Yasuoka, Kenji; Mirbt, Susanne; Sanyal, Biplab

Part of The Journal of Physical Chemistry C, p. 9429-9435, 2014

• DOI for Bipolaron Formation Induced by Oxygen Vacancy at Rutile TiO2(110) Surfaces

Structural, electronic and magnetic properties of YMnO3/La0.7Sr0.3MnO3 heterostructures

Paul, Amitesh; Zandalazini, Carlos; Esquinazi, Pablo; Autieri, Carmine et al.

Part of Journal of applied crystallography, p. 1054-1064, 2014

• DOI for Structural, electronic and magnetic properties of YMnO3/La0.7Sr0.3MnO3 heterostructures

Emergence of spin spiral magnetic order in Mn based inverse Heusler alloys

Paul, S.; Ghosh, S.; Sanyal, Biplab

Part of Journal of Physics, p. 196004, 2014

• DOI for Emergence of spin spiral magnetic order in Mn based inverse Heusler alloys

A real-space study of random extended defects in solids: Application to disordered Stone–Wales defects in graphene

Chowdhury, Suman; Baidya, Santu; Nafday, Dhani; Haldar, Soumyajyoti et al.

Part of Physica. E, Low-Dimensional systems and nanostructures, p. 191-197, 2014

• DOI for A real-space study of random extended defects in solids: Application to disordered Stone–Wales defects in graphene

Fe_n (n=1–6) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy

Haldar, Soumyajyoti; Pujari, Bhalchandra S; Bhandary, Sumanta; Cossu, Fabrizio et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 205411, 2014

• DOI for Fe_n (n=1–6) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy

Study of the effect of magnetic ordering on order-disorder transitions in binary alloys

Jena, Ambika Prasad; Sanyal, Biplab; Mookerjee, Abhijit

Part of Journal of Magnetism and Magnetic Materials, p. 15-20, 2014

• DOI for Study of the effect of magnetic ordering on order-disorder transitions in binary alloys

Revisiting the adsorption of copper-phthalocyanine on Au(111) including van der Waals corrections

Lüder, Johann; Eriksson, Olle; Sanyal, Biplab; Brena, Barbara

Part of Journal of Chemical Physics, p. 124711, 2014

• DOI for Revisiting the adsorption of copper-phthalocyanine on Au(111) including van der Waals corrections

Anti-site disorder and improved functionality of Mn2NiX (X = Al, Ga, In, Sn) inverse Heusler alloys

Paul, Souvik; Kundu, Ashis; Sanyal, Biplab; Ghosh, Subhradip

Part of Journal of Applied Physics, p. 133903, 2014

• DOI for Anti-site disorder and improved functionality of Mn2NiX (X = Al, Ga, In, Sn) inverse Heusler alloys

Fe phthalocyanine on Co(001): Influence of surface oxidation on structural and electronic properties

Herper, Heike C.; Bhandary, Sumanta; Eriksson, Olle; Sanyal, Biplab et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2014

• DOI for Fe phthalocyanine on Co(001): Influence of surface oxidation on structural and electronic properties

Comparison of van der Waals corrected and sparse-matter density functionals for the metal-free phthalocyanine/gold interface

Luder, Johann; Sanyal, Biplab; Eriksson, Olle; Puglia, Carla et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2014

• DOI for Comparison of van der Waals corrected and sparse-matter density functionals for the metal-free phthalocyanine/gold interface

Effect of short range ordering on the magnetism in disordered Fe:Al alloy

Ghosh, Tanmoy; Jena, Ambika Prasad; Sanyal, Biplab; Sonomura, Hirosuke et al.

Part of Journal of Alloys and Compounds, p. 306-311, 2014

• DOI for Effect of short range ordering on the magnetism in disordered Fe:Al alloy

Exotic exchange bias at epitaxial ferroelectric-ferromagnetic interfaces

Paul, Amitesh; Reitinger, Christoph; Autieri, Carmine; Sanyal, Biplab et al.

Part of Applied Physics Letters, 2014

• DOI for Exotic exchange bias at epitaxial ferroelectric-ferromagnetic interfaces

Interaction of Nucleobases and Aromatic Amino Acids with Graphene Oxide and Graphene Flakes

Vovusha, Hakkim; Sanyal, Suparna; Sanyal, Biplab

Part of The Journal of Physical Chemistry Letters, p. 3710-3718, 2013

• DOI for Interaction of Nucleobases and Aromatic Amino Acids with Graphene Oxide and Graphene Flakes

Complex magnetic structure of clusters and chains of Ni and Fe on Pt(111)

Bezerra-Neto, Manoel M.; Ribeiro, Marcelo S.; Sanyal, Biplab; Bergman, Anders et al.

Part of Scientific Reports, p. 3054, 2013

• DOI for Complex magnetic structure of clusters and chains of Ni and Fe on Pt(111)
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Defect controlled magnetism in FeP/graphene/Ni(111)

Bhandary, Sumanta; Eriksson, Olle; Sanyal, Biplab

Part of Scientific Reports, p. 3405, 2013

• DOI for Defect controlled magnetism in FeP/graphene/Ni(111)
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Tailoring of defect levels by deformations: Te-antisite in CdTe

Shepidchenko, Anna; Mirbt, Susanne; Sanyal, Biplab; Håkansson, Ane et al.

Part of Journal of Physics, p. 415801, 2013

• DOI for Tailoring of defect levels by deformations: Te-antisite in CdTe

Experimental and theoretical study of electronic structure of lutetium bi-phthalocyanine

Bidermane, Ieva; Lüder, Johann; Boudet, S.; Zhang, T. et al.

Part of Journal of Chemical Physics, p. 234701, 2013

• DOI for Experimental and theoretical study of electronic structure of lutetium bi-phthalocyanine
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Magnetic properties of Mn2NiSn shape memory alloy

Paul, Souvik; Sanyal, Biplab; Ghosh, Subhradip

Part of Journal of Physics, p. 236005, 2013

• DOI for Magnetic properties of Mn2NiSn shape memory alloy

Manipulation of spin state of iron porphyrin by chemisorption on magnetic substrates

Bhandary, Sumanta; Brena, Barbara; Panchmatia, Pooja M.; Brumboiu, Iulia et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2013

• DOI for Manipulation of spin state of iron porphyrin by chemisorption on magnetic substrates

Accurate determination of band gaps within density functional formalism

Singh, Prashant; Harbola, Manoj K.; Sanyal, Biplab; Mookerjee, Abhijit

Part of Physical Review B. Condensed Matter and Materials Physics, p. 235110, 2013

• DOI for Accurate determination of band gaps within density functional formalism

Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3

Iusan, Diana; Yamauchi, Kunihiko; Barone, Paolo; Sanyal, Biplab et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2013

• DOI for Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3

Iron porphyrin molecules on Cu(001): Influence of adlayers and ligands on the magnetic properties

Herper, Heike C.; Bernien, M.; Bhandary, S.; Hermanns, C. F. et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 174425, 2013

• DOI for Iron porphyrin molecules on Cu(001): Influence of adlayers and ligands on the magnetic properties

Photoelectron and Absorption Spectroscopy Studies of Metal-Free Phthalocyanine on Au(111): Experiment and Theory

Shariati, Masumeh-Nina; Lüder, Johann; Bidermane, Ieva; Ahmadi, Sareh et al.

Part of The Journal of Physical Chemistry C, p. 7018-7025, 2013

• DOI for Photoelectron and Absorption Spectroscopy Studies of Metal-Free Phthalocyanine on Au(111): Experiment and Theory

Exchange parameters and adiabatic magnon energies from spin-spiral calculations

Jacobsson, Adam; Sanyal, Biplab; Lezaic, Marjana; Bluegel, Stefan

Part of Physical Review B. Condensed Matter and Materials Physics, p. 134427, 2013

• DOI for Exchange parameters and adiabatic magnon energies from spin-spiral calculations

Designing Fe Nanostructures at Graphene/h-BN Interfaces

Haldar, Soumyajyoti; Srivastava, Pooja; Eriksson, Olle; Sen, Prasenjit et al.

Part of The Journal of Physical Chemistry C, p. 21763-21771, 2013

• DOI for Designing Fe Nanostructures at Graphene/h-BN Interfaces

Tuning the Curie temperature of FeCo compounds by tetragonal distortion

Jakobsson, Adam; Sasioglu, E.; Mavropoulos, Ph; Lezaic, M. et al.

Part of Applied Physics Letters, p. 102404, 2013

• DOI for Tuning the Curie temperature of FeCo compounds by tetragonal distortion

Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to ferromagnetic Co films

Klar, D.; Brena, Barbara; Herper, Heike; Bhandary, Sumanta et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 224424, 2013

• DOI for Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to ferromagnetic Co films

Theoretical Analysis of Inertia-like Switching in Magnets: Applications to a Synthetic Antiferromagnet

Bhattacharjee, Satadeep; Bergman, Anders; Taroni, Andrea; Hellsvik, Johan et al.

Part of Physical Review X, 2012

• DOI for Theoretical Analysis of Inertia-like Switching in Magnets: Applications to a Synthetic Antiferromagnet

First-principles study of magnetism in Pd3Fe under pressure

Dutta, Biswanath; Bhandary, Sumanta; Ghosh, Subhradip; Sanyal, Biplab

Part of Physical Review B. Condensed Matter and Materials Physics, 2012

• DOI for First-principles study of magnetism in Pd3Fe under pressure

Magnetic ordering in Ni-rich NiMn alloys around the multicritical point: Experiment and theory

Pal, Pampa; Banerjee, Rudra; Banerjee, Radheshyam; Mookerjee, Abhijit et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 174405, 2012

• DOI for Magnetic ordering in Ni-rich NiMn alloys around the multicritical point: Experiment and theory

Epitaxial Fe films on ZnSe(001): effect of the substrate surface reconstruction on the magnetic anisotropy

Tacchi, S.; Grånäs, Oscar; Stollo, A.; Madami, M. et al.

Part of Journal of Physics, p. 236006, 2012

• DOI for Epitaxial Fe films on ZnSe(001): effect of the substrate surface reconstruction on the magnetic anisotropy

Improved gas sensing activity in structurally defected bilayer graphene

Hajati, Y; Blom, Tobias; Jafri, S H M; Haldar, Soumyajyoti et al.

Part of Nanotechnology, p. 50550, 2012

• DOI for Improved gas sensing activity in structurally defected bilayer graphene

A new first principles approach to calculate phonon spectra of disordered alloys

Grånäs, Oscar; Dutta, Biswanath; Ghosh, Subhradip; Sanyal, Biplab

Part of Journal of Physics, 2012

• DOI for A new first principles approach to calculate phonon spectra of disordered alloys

Ferrimagnetism, antiferromagnetism, and magnetic frustration in La2-xSrxCuRuO6 (0 <= x <= 1)

Kumar, P. Anil; Mathieu, Roland; Vijayaraghavan, R.; Majumdar, Subham et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2012

• DOI for Ferrimagnetism, antiferromagnetism, and magnetic frustration in La2-xSrxCuRuO6 (0 <= x <= 1)

Weak antiferromagnetic superexchange interaction in fcc C60Hn

Choi, Yun-Ki; Cho, Jun-Hyung; Sanyal, Biplab; Bihlmayer, Gustav

Part of Physical Review B. Condensed Matter and Materials Physics, 2012

• DOI for Weak antiferromagnetic superexchange interaction in fcc C60Hn

Effect of disorder on the electronic properties of graphene: A theoretical approach

Alam, Aftab; Sanyal, Biplab; Mookerjee, Abhijit

Part of Physical Review B. Condensed Matter and Materials Physics, 2012

• DOI for Effect of disorder on the electronic properties of graphene: A theoretical approach

Microscopic Model for Ultrafast Remagnetization Dynamics

Chimata, Raghuveer; Bergman, Anders; Bergqvist, Lars; Sanyal, Biplab et al.

Part of Physical Review Letters, p. 157201, 2012

• DOI for Microscopic Model for Ultrafast Remagnetization Dynamics

Electronic structure and optical properties of ordered compounds potassium tantalate and potassium niobate and their disordered alloys

Sinha, T. P.; Dutta, Alo; Saha, Sonali; Tarafder, Kartick et al.

Part of Physica. B, Condensed matter, p. 4615-4621, 2012

• DOI for Electronic structure and optical properties of ordered compounds potassium tantalate and potassium niobate and their disordered alloys

A systematic study of polarons due to oxygen vacancy formation at the rutile TiO2(110) surface by GGA plus U and HSE06 methods

Shibuya, Taizo; Yasuoka, Kenji; Mirbt, Susanne; Sanyal, Biplab

Part of Journal of Physics, p. 435504, 2012

• DOI for A systematic study of polarons due to oxygen vacancy formation at the rutile TiO2(110) surface by GGA plus U and HSE06 methods

First principles calculations of magnetism, dielectric properties and spin-phonon coupling in double perovskite Bi2CoMnO6

Bhattacharjee, Satadeep; Eriksson, Olle; Sanyal, Biplab

Part of Journal of Physics, p. 295901, 2012

• DOI for First principles calculations of magnetism, dielectric properties and spin-phonon coupling in double perovskite Bi2CoMnO6

Functionalization of edge reconstructed graphene nanoribbons by H and Fe: A density functional study

Haldar, Soumyajyoti; Bhandary, Sumanta; Bhattacharjee, Satadeep; Eriksson, Olle et al.

Part of Solid State Communications, p. 1719-1724, 2012

• DOI for Functionalization of edge reconstructed graphene nanoribbons by H and Fe: A density functional study

Magnetic impurities in graphane with dehydrogenated channels

Haldar, Soumyajyoti; Kanhere, D. G.; Sanyal, Biplab

Part of Physical Review B. Condensed Matter and Materials Physics, p. 155426, 2012

• DOI for Magnetic impurities in graphane with dehydrogenated channels

Nanoscale size effect on surface spin canting in iron oxide nanoparticles synthesized by the microemulsion method

Darbandi, Masih; Stromberg, Frank; Landers, Joachim; Reckers, Nathalie et al.

Part of Journal of Physics D, p. 195001, 2012

• DOI for Nanoscale size effect on surface spin canting in iron oxide nanoparticles synthesized by the microemulsion method

First-principles studies of complex magnetism in Mn nanostructures on the Fe(001) surface

Igarashi, R. N.; Klautau, A. B.; Muniz, R. B.; Sanyal, Biplab et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2012

• DOI for First-principles studies of complex magnetism in Mn nanostructures on the Fe(001) surface

Electronic Structure, Spin-States, and Spin-Crossover Reaction of Heme-Related Fe-Porphyrins: A Theoretical Perspective

Ali, Md. Ehesan; Sanyal, Biplab; Oppeneer, Peter M.

Part of Journal of Physical Chemistry B, p. 5849-5859, 2012

• DOI for Electronic Structure, Spin-States, and Spin-Crossover Reaction of Heme-Related Fe-Porphyrins: A Theoretical Perspective

Preface

Sanyal, Biplab; Eriksson, Olle

Part of Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems, 2012

• DOI for Preface

Augmented space recursion formulation of the study of disordered alloys with noncollinear magnetism and spin-orbit coupling: Application to MnPt and Mn3Rh

Ganguly, Shreemoyee; Costa, Marcio; Klautau, Angela B.; Bergman, Anders et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2011

• DOI for Augmented space recursion formulation of the study of disordered alloys with noncollinear magnetism and spin-orbit coupling: Application to MnPt and Mn3Rh

Carbon Release by Selective Alloying of Transition Metal Carbides

Råsander, Mikael; Lewin, Erik; Wilhelmsson, Ola; Sanyal, Biplab et al.

Part of Journal of Physics, p. 355401-+, 2011

• DOI for Carbon Release by Selective Alloying of Transition Metal Carbides

Fe3.3Ni83.2Mo13.5: a likely candidate to show spin-glass behaviour at low temperatures

Banerjee, Rudra; Banerjee, Mitali; Majumdar, A. K.; Mookerjee, Abhijit et al.

Part of Journal of Physics, p. 106002, 2011

• DOI for Fe3.3Ni83.2Mo13.5: a likely candidate to show spin-glass behaviour at low temperatures

Small gold clusters on graphene, their mobility and clustering: a DFT study

Amft, Martin; Sanyal, Biplab; Eriksson, Olle; Skorodumova, Natalia

Part of Physical Review B Condensed Matter, p. 205301, 2011

• DOI for Small gold clusters on graphene, their mobility and clustering: a DFT study

Magnetocrystalline anisotropy and uniaxiality of MnAs/GaAs(100) films

Wikberg, J Magnus; Knut, Ronny; Bhandary, Sumanta; Di Marco, Igor et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2011

• DOI for Magnetocrystalline anisotropy and uniaxiality of MnAs/GaAs(100) films

Probing the conduction band edge of transition metal oxides by X-ray absorption spectroscopy

Sandell, Anders; Sanyal, Biplab; Walle, L. E.; Uvdal, P. et al.

Part of Journal of Electron Spectroscopy and Related Phenomena, p. 107-113, 2011

• DOI for Probing the conduction band edge of transition metal oxides by X-ray absorption spectroscopy

Interpolation of Atomically Thin Hexagonal Boron Nitride and Graphene: Electronic Structure and Thermodynamic Stability in Terms of All-Carbon Conjugated Paths and Aromatic Hexagons

Zhu, Jun; Bhandary, Sumanta; Sanyal, Biplab; Ottosson, Henrik

Part of The Journal of Physical Chemistry C, p. 10264-10271, 2011

• DOI for Interpolation of Atomically Thin Hexagonal Boron Nitride and Graphene: Electronic Structure and Thermodynamic Stability in Terms of All-Carbon Conjugated Paths and Aromatic Hexagons

Structural and elastic properties of Ni2+xMn1-xGa alloys

Ghosh, Subhradip; Vitos, Levente; Sanyal, Biplab

Part of Physica. B, Condensed matter, p. 2240-2244, 2011

• DOI for Structural and elastic properties of Ni2+xMn1-xGa alloys

Valence-band electronic structure of iron phthalocyanine: An experimental and theoretical photoelectron spectroscopy study

Brena, Barbara; Puglia, Carla; de Simone, Monica; Coreno, Marcello et al.

Part of Journal of Chemical Physics, 2011

• DOI for Valence-band electronic structure of iron phthalocyanine: An experimental and theoretical photoelectron spectroscopy study
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Unusual structure and magnetism in manganese oxide nanoclusters

Ganguly, Shreemoyee; Kabir, Mukul; Sanyal, Biplab; Mookerjee, Abhijit

Part of Physical Review B. Condensed Matter and Materials Physics, 2011

• DOI for Unusual structure and magnetism in manganese oxide nanoclusters

Tuning of dielectric properties and magnetism of SrTiO3 by site-specific doping of Mn

Choudhury, Debraj; Mukherjee, S; Mandal, P; Sundaresan, A et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 125124, 2011

• DOI for Tuning of dielectric properties and magnetism of SrTiO3 by site-specific doping of Mn

Study of optical response in disordered alloys using the generalized recursion in augmented space: Application to ferromagnetic FeCo alloy

Rahaman, Moshiour; Tarafder, Kartick; Sanyal, Biplab; Mookerjee, Abhijit

Part of Physica. B, Condensed matter, p. 2121-2125, 2011

• DOI for Study of optical response in disordered alloys using the generalized recursion in augmented space: Application to ferromagnetic FeCo alloy

Magnetic behaviour of AuFe and NiMo alloys

Singh, Prashant; Banerjee, Rudra; Rahaman, Moshiour; Ruban, A. V. et al.

Part of Pramana (Bangalore), p. 639-656, 2011

• DOI for Magnetic behaviour of AuFe and NiMo alloys

Textured growth of the high moment material Gd(0001)/Cr(001)/Fe(001)

Strömberg, F.; Antoniak, C.; von Hörsten, U.; Keune, W. et al.

Part of Journal of Physics D, p. 265004, 2011

• DOI for Textured growth of the high moment material Gd(0001)/Cr(001)/Fe(001)

Graphene as a Reversible Spin Manipulator of Molecular Magnets

Bhandary, Sumanta; Ghosh, Saurabh; Herper, Heike; Wende, Heiko et al.

Part of Physical Review Letters, p. 257202, 2011

• DOI for Graphene as a Reversible Spin Manipulator of Molecular Magnets

Disorder-induced metallicity in amorphous graphene

Holmstroem, Erik; Fransson, Jonas; Eriksson, Olle; Lizarraga, Raquel et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 205414, 2011

• DOI for Disorder-induced metallicity in amorphous graphene

Route towards finding large magnetic anisotropy in nanocomposites: Application to a W(1-x)Re(x)/Fe multilayer

Bhandary, Sumanta; Grånäs, Oscar; Szunyogh, Laszlo; Sanyal, Biplab et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2011

• DOI for Route towards finding large magnetic anisotropy in nanocomposites: Application to a W(1-x)Re(x)/Fe multilayer

Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111)

Rusz, Jan; Preobrajenski, Alexei; Ng, May Ling; Vinogradov, Nikolay et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2010

• DOI for Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111)
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Wear-resistant magnetic thin film material based on a Ti_1−xFe_xC_1−y nanocomposite alloy

Bijelovic, Stojanka; Råsander, Mikael; Wilhelmsson, Ola; Lewin, Erik et al.

Part of Physical Review B Condensed Matter, 2010

• DOI for Wear-resistant magnetic thin film material based on a Ti_1−xFe_xC_1−y nanocomposite alloy

Conductivity engineering of graphene by defect formation

Jafri, Syed Hassan Mujtaba; Carva, Karel; Widenkvist, Erika; Blom, Tobias et al.

Part of Journal of Physics D, 2010

• DOI for Conductivity engineering of graphene by defect formation

Magnetism in FeNiW disordered alloys: Experiment and theory

Banerjee, Mitali; Mookerjee, Abhijit; Majumdar, A. K.; Banerjee, Rudra et al.

Part of Journal of Magnetism and Magnetic Materials, p. 3558-3564, 2010

• DOI for Magnetism in FeNiW disordered alloys: Experiment and theory

Complex edge effects in zigzag graphene nanoribbons due to hydrogen loading

Bhandary, Sumanta; Eriksson, Olle; Sanyal, Biplab; Katsnelson, Mikhail I.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 165405, 2010

• DOI for Complex edge effects in zigzag graphene nanoribbons due to hydrogen loading

Magnetism in NiFeMo disordered alloys: Experiment and theory

Banerjee, Mitali; Banerjee, Rudra; Majumdar, A. K.; Mookerjee, Abhijit et al.

Part of Physica. B, Condensed matter, p. 4287-4293, 2010

• DOI for Magnetism in NiFeMo disordered alloys: Experiment and theory

Tuning magnetism of MnO by doping with 2p elements

Yadav, Manoj K.; Mookerjee, Abhijit; Sanyal, Biplab

Part of Journal of Magnetism and Magnetic Materials, p. 253-256, 2010

• DOI for Tuning magnetism of MnO by doping with 2p elements

Charge-induced spin polarization in nonmagnetic organic molecule Alq(3)

Tarafder, Kartick; Sanyal, Biplab; Oppeneer, Peter M.

Part of Physical Review B. Condensed Matter and Materials Physics, 2010

• DOI for Charge-induced spin polarization in nonmagnetic organic molecule Alq(3)

A systematic study of electronic structure from graphene to graphane

Chandrachud, Prachi; Pujari, Bhalchandra S.; Haldar, Soumyajyoti; Sanyal, Biplab et al.

Part of Journal of Physics, p. 465502, 2010

• DOI for A systematic study of electronic structure from graphene to graphane

Complex magnetic interactions in off-stoichiometric NiMnGa alloys

Ghosh, Subhradip; Sanyal, Biplab

Part of Journal of Physics, p. 346001, 2010

• DOI for Complex magnetic interactions in off-stoichiometric NiMnGa alloys

First-principles theory of dilute magnetic semiconductors

Sato, K.; Bergqvist, Lars; Kudrnovsky, J.; Dederichs, P. H. et al.

Part of Reviews of Modern Physics, p. 1633-1690, 2010

• DOI for First-principles theory of dilute magnetic semiconductors

Forcing Ferromagnetic Coupling Between Rare-Earth-Metal and 3d Ferromagnetic Films

Sanyal, Biplab; Antoniak, Carolin; Burkert, Till; Krumme, Bernhard et al.

Part of Physical Review Letters, p. 156402, 2010

• DOI for Forcing Ferromagnetic Coupling Between Rare-Earth-Metal and 3d Ferromagnetic Films

Density functional calculations of hole induced long ranged ferromagnetic ordering in Mn doped Cd28Se28 nanocluster

Ghosh, S.; Sanyal, Biplab; Das, G. P.

Part of Applied Physics Letters, 2010

• DOI for Density functional calculations of hole induced long ranged ferromagnetic ordering in Mn doped Cd28Se28 nanocluster

Structural, electronic and magnetic properties of Cr-doped Cd12S12 clusters: A density functional investigation

Ghosh, S.; Sanyal, Biplab; Das, G. P.

Part of Journal of Magnetism and Magnetic Materials, p. 734-742, 2010

• DOI for Structural, electronic and magnetic properties of Cr-doped Cd12S12 clusters: A density functional investigation

Electronic structure of Co-phthalocyanine calculated by GGA plus U and hybrid functional methods

Bhattacharjee, Satadeep; Brena, Barbara; Banerjee, Rudra; Wende, Heiko et al.

Part of Chemical Physics, p. 96-99, 2010

• DOI for Electronic structure of Co-phthalocyanine calculated by GGA plus U and hybrid functional methods

Study of the electronic and structural properties of ZnO clusters

Sanyal, Biplab; Mookerjee, Abhijit

Part of International Journal of Modern Physics B, p. 3297-3309, 2010

• DOI for Study of the electronic and structural properties of ZnO clusters

Halide Ligated Iron Porphines: A DFT plus U and UB3LYP Study

Panchmatia, Pooja M.; Ali, Md Ehesan; Sanyal, Biplab; Oppeneer, Peter M.

Part of Journal of Physical Chemistry A, p. 13381-13387, 2010

• DOI for Halide Ligated Iron Porphines: A DFT plus U and UB3LYP Study

Electronic structure and magnetism of transition metal doped Zn12O12 clusters: Role of defects

Ganguli, Nirmal; Dasgupta, Indra; Sanyal, Biplab

Part of Journal of Applied Physics, p. 123911, 2010

• DOI for Electronic structure and magnetism of transition metal doped Zn12O12 clusters: Role of defects

Stabilization of ferromagnetism in Mn doped ZnO with C co-doping

Yadav, Manoj K.; Sanyal, Biplab; Mookerjee, Abhijit

Part of Journal of Magnetism and Magnetic Materials, p. 273-276, 2009

• DOI for Stabilization of ferromagnetism in Mn doped ZnO with C co-doping

Structural, electronic and magnetic properties of Cr-doped (ZnTe)(12) clusters

Yadav, Manoj K.; Sanyal, Biplab; Mookerjee, Abhijit

Part of Journal of Magnetism and Magnetic Materials, p. 235-240, 2009

• DOI for Structural, electronic and magnetic properties of Cr-doped (ZnTe)(12) clusters

Chemical and magnetic interactions in Mn- and Fe-codoped Ge diluted magnetic semiconductors

Paul, Amitesh; Sanyal, Biplab

Part of Physical Review B. Condensed Matter and Materials Physics, p. 214438, 2009

• DOI for Chemical and magnetic interactions in Mn- and Fe-codoped Ge diluted magnetic semiconductors

Molecular adsorption in defected graphene with divacancy defects

Sanyal, Biplab; Eriksson, Olle; Jansson, Ulf; Grennberg, Helena

Part of Physical Review B. Condensed Matter and Materials Physics, p. 113409, 2009

• DOI for Molecular adsorption in defected graphene with divacancy defects

Microscopic picture of Co clustering in ZnO

Iusan, Diana; Kabir, Mukul; Grånäs, Oscar; Eriksson, Olle et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 125202, 2009

• DOI for Microscopic picture of Co clustering in ZnO

First-principles calculations of optical and magneto-optical properties of Ga1-xMnxAs and MnAs

Amft, Martin; Burkert, T; Sanyal, Biplab; Oppeneer, Peter M.

Part of Physica. B, Condensed matter, p. 3782-3788, 2009

• DOI for First-principles calculations of optical and magneto-optical properties of Ga1-xMnxAs and MnAs

Tuning the Magnetic Interaction between Manganese Porphyrins and Ferromagnetic Co Substrate through Dedicated Control of the Adsorption

Ali, Ehesan; Sanyal, Biplab; Oppeneer, Peter M.

Part of The Journal of Physical Chemistry C, p. 14381-14383, 2009

• DOI for Tuning the Magnetic Interaction between Manganese Porphyrins and Ferromagnetic Co Substrate through Dedicated Control of the Adsorption

Evolving properties of two-dimensional materials: from graphene to graphite

Klintenberg, Mattias; Lebegue, S; Ortiz, C; Sanyal, Biplab et al.

Part of Journal of Physics, p. 335502, 2009

• DOI for Evolving properties of two-dimensional materials: from graphene to graphite

The making of ferromagnetic Fe doped ZnO nanoclusters

Ganguli, Nirmal; Dasgupta, Indra; Sanyal, Biplab

Part of Applied Physics Letters, p. 192503, 2009

• DOI for The making of ferromagnetic Fe doped ZnO nanoclusters

Nature of the magnetic interaction between Fe-porphyrin molecules and ferromagnetic surfaces

Oppeneer, Peter M.; Panchmatia, Pooja M.; Sanyal, Biplab; Eriksson, O. et al.

Part of Progress in Surface Science, p. 18-29, 2009

• DOI for Nature of the magnetic interaction between Fe-porphyrin molecules and ferromagnetic surfaces

Defect Formation In Graphene Nanosheets By Acid Treatment: An X-Ray Absorption Spectroscopy And Density Functional Theory Study

Coleman, V. A.; Knut, Ronny; Karis, Olof; Grennberg, H. et al.

Part of Journal of Physics D, 2008

• DOI for Defect Formation In Graphene Nanosheets By Acid Treatment: An X-Ray Absorption Spectroscopy And Density Functional Theory Study

Electronic structure and chemical and magnetic interactions in ZnO doped with Co and Al: Experiments and ab initio density-functional calculations

Iusan, Diana; Knut, Ronny; Sanyal, Biplab; Karis, Olof et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2008

• DOI for Electronic structure and chemical and magnetic interactions in ZnO doped with Co and Al: Experiments and ab initio density-functional calculations

Cobalt-doped beta-peptide nanotubes: A class of spintronic materials

Sanyal, Biplab; Eriksson, Olle; Arvidsson, Per I.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 155407, 2008

• DOI for Cobalt-doped beta-peptide nanotubes: A class of spintronic materials

Electronic structure and chemical and magnetic interactions in ZnO doped with Co and Al: Experiments and ab initio density-functional calculations

Iusan, Diana; Knut, Ronny; Sanyal, Biplab; Karis, Olof et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2008

Inhomogeneity in Co Doped ZnO Diluted Magnetic Semiconductor

Sanyal, Biplab; Knut, Ronny; Grånäs, Oscar; Iusan, Diana et al.

Part of Journal of Applied Physics, 2008

• DOI for Inhomogeneity in Co Doped ZnO Diluted Magnetic Semiconductor

Magnetism in small bimetallic Mn-Co clusters

Ganguly, Shreemoyee; Kabir, Mukul; Datta, Soumendu; Sanyal, Biplab et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2008

• DOI for Magnetism in small bimetallic Mn-Co clusters

Probing and modifying the empty-state threshold of anatase TiO2: Experiments and ab initio theory

Sandell, A.; Sanyal, Biplab; Walle, L. E.; Richter, J. H. et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2008

• DOI for Probing and modifying the empty-state threshold of anatase TiO2: Experiments and ab initio theory

Dynamics of diluted magnetic semiconductors from atomistic spin-dynamics simulations: Mn-doped GaAs

Hellsvik, Johan; Skubic, Björn; Nordström, Lars; Sanyal, Biplab et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 144419, 2008

• DOI for Dynamics of diluted magnetic semiconductors from atomistic spin-dynamics simulations: Mn-doped GaAs

GGA+U modeling of structural, electronic, and magnetic properties of iron porphyrin-type molecules

Panchmatia, Pooja M.; Sanyal, Biplab; Oppeneer, Peter M.

Part of Chemical Physics, p. 47-60, 2008

• DOI for GGA+U modeling of structural, electronic, and magnetic properties of iron porphyrin-type molecules

Twist-dependent stacking energy of base-pair steps in B-DNA geometry: A density functional theory approach

Samanta, Sudipta; Kabir, Mukul; Sanyal, Biplab; Bhattacharyya, Dhananjay

Part of International Journal of Quantum Chemistry, p. 1173-1180, 2008

• DOI for Twist-dependent stacking energy of base-pair steps in B-DNA geometry: A density functional theory approach

Volume dependent magnetism in zinc-blende MnX (X=N,P,As,Sb,Bi) compounds

Sanyal, Biplab; Eriksson, Olle

Part of Journal of Applied Physics, 2008

• DOI for Volume dependent magnetism in zinc-blende MnX (X=N,P,As,Sb,Bi) compounds

Study of phase stability in a class of binary alloys using augmented space recursion based orbital peeling technique

Tarafder, Kartick; Rahaman, Moshiour; Paudyal, Durga; Sanyal, Biplab et al.

Part of Physica. B, Condensed matter, p. 4111-4119, 2008

• DOI for Study of phase stability in a class of binary alloys using augmented space recursion based orbital peeling technique

Electronic structure of Co doped ZnO: Theory and experiment

Sanyal, Biplab; Grånäs, Oscar; Knut, Ronny; Coleman, V. A et al.

Part of Journal of Applied Physics, 2008

• DOI for Electronic structure of Co doped ZnO: Theory and experiment

Influence of ligand states on the relationship between orbital moment and magnetocrystalline anisotropy

Arvanitis, Dimitri; Sanyal, Biplab; Eriksson, Olle; Nordström, Lars et al.

Part of Physical Review Letters, p. 177207, 2007

• DOI for Influence of ligand states on the relationship between orbital moment and magnetocrystalline anisotropy

Band alignment at the ZrO2/Si(100) interface studied by photoelectron and x-ray absorption spectroscopy

Richter, Jan Hinnerk; Karlsson, Patrik G.; Sanyal, Biplab; Blomquist, J. et al.

Part of Journal of Applied Physics, p. 104120, 2007

• DOI for Band alignment at the ZrO2/Si(100) interface studied by photoelectron and x-ray absorption spectroscopy

Design of Nanocomposite Low-Friction Coatings

Wilhelmsson, Ola; Råsander, Mikael; Carlsson, Mattias; Lewin, Erik et al.

Part of Advanced Functional Materials, p. 1611-1616, 2007

• DOI for Design of Nanocomposite Low-Friction Coatings

Structure of Fe-Co/Pt(001) superlattices: a realization of tetragonal Fe-Co alloys

Andersson, Gabriella; Björck, Matts; Lidbaum, Hans; Sanyal, Biplab et al.

Part of Journal of Physics, 2007

• DOI for Structure of Fe-Co/Pt(001) superlattices: a realization of tetragonal Fe-Co alloys

Influence of defects on the magnetism of Mn-doped ZnO

Iusan, Diana; Sanyal, Biplab; Eriksson, Olle

Part of Journal of Applied Physics, 2007

• DOI for Influence of defects on the magnetism of Mn-doped ZnO

Role of defects on the magnetic interactions in Mn-doped ZnO

Iusan, Diana; Sanyal, Biplab; Eriksson, Olle

Part of Physica status solidi. A, Applied research, p. 53-60, 2007

• DOI for Role of defects on the magnetic interactions in Mn-doped ZnO

Dual nature of improper ferroelectricity in a magnetoelectric multiferroic

Picozzi, S.; Yamauchi, K.; Sanyal, Biplab; Sergienko, I. A. et al.

Part of Physical Review Letters, p. 227201, 2007

• DOI for Dual nature of improper ferroelectricity in a magnetoelectric multiferroic

Interface effects at a half-metal/ferroelectric junction

Yamauchi, Kunihiko; Sanyal, Biplab; Picozzi, Silvia

Part of Applied Physics Letters, 2007

• DOI for Interface effects at a half-metal/ferroelectric junction

Substrate-induced magnetic ordering and switching of iron porphyrin molecules

Wende, H.; Bernien, M.; Luo, J.; Sorg, C. et al.

Part of Nature Materials, p. 516-520, 2007

• DOI for Substrate-induced magnetic ordering and switching of iron porphyrin molecules

Ab-initio modeling of spintronic materials

Sanyal, Biplab; Eriksson, Olle

Part of Physica status solidi. A, Applied research, p. 33-43, 2007

• DOI for Ab-initio modeling of spintronic materials

Structure, bonding, and magnetism of cobalt clusters from first-principles calculations

Datta, S.; Kabir, M.; Ganguly, S.; Sanyal, Biplab et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2007

• DOI for Structure, bonding, and magnetism of cobalt clusters from first-principles calculations

Ordering in diluted magnetic semiconductors: A magnetic percolation phenomenon (invited)

Eriksson, Olle; Iusan, Diana; Knut, Ronny; Sanyal, Biplab

Part of Journal of Applied Physics, 2007

• DOI for Ordering in diluted magnetic semiconductors: A magnetic percolation phenomenon (invited)

Dynamical core-hole screening in the x-ray absorption spectra of hydrogenated carbon nanotubes and graphene

Wessely, Ola; Katsnelson, undefined; Nilsson, undefined; Nikitin, undefined et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 161402, 2007

• DOI for Dynamical core-hole screening in the x-ray absorption spectra of hydrogenated carbon nanotubes and graphene

Perpendicular magnetocrystalline anisotropy in tetragonally distorted Fe-Co alloys

Andersson, Gabriella; Burkert, Till; Warnicke, Peter; Björck, Matts et al.

Part of Physical Review Letters, 2006

• DOI for Perpendicular magnetocrystalline anisotropy in tetragonally distorted Fe-Co alloys
• Download full text (pdf) of Perpendicular magnetocrystalline anisotropy in tetragonally distorted Fe-Co alloys

Structure and magnetism for ultra-thin epitaxial Fe on Ag(100)

Hahlin, Anders; Andersson, Cecilia; Hunter Dunn, Jonathan; Sanyal, Biplab et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 134423, 2006

• DOI for Structure and magnetism for ultra-thin epitaxial Fe on Ag(100)

Magnetic properties of Fe/Co(001) superlattices from first-principles theory

Bergman, Anders; Burkert, Till; Sanyal, Biplab; Frota-Pessôa, Sonia et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 174409, 2006

• DOI for Magnetic properties of Fe/Co(001) superlattices from first-principles theory

Experimental and theoretical study of annealed Ni-Pt alloys

Kumar, Uday; Mukhopadhyay, Pratip; Sanyal, Biplab; Eriksson, Olle et al.

Part of Physical Review B. Condensed Matter and Materials Physics, 2006

• DOI for Experimental and theoretical study of annealed Ni-Pt alloys

Volume-dependent exchange interactions and noncollinear magnetism in zinc-blende MnAs

Sanyal, Biplab; Eriksson, Olle; Aron, Camille

Part of Physical Review B. Condensed Matter and Materials Physics, p. 184401, 2006

• DOI for Volume-dependent exchange interactions and noncollinear magnetism in zinc-blende MnAs

Theoretical study of the magnetism of Mn-doped ZnO with and without defects

Iusan, Diana; Sanyal, Biplab; Eriksson, Olle

Part of Physical Review B. Condensed Matter and Materials Physics, p. 235208, 2006

• DOI for Theoretical study of the magnetism of Mn-doped ZnO with and without defects

Ferromagnetism in Mn doped half-Heusler NiTiSn: Theory and experiment

Sanyal, Biplab; Eriksson, Olle; Suresh, K. G.; Dasgupta, Indra et al.

Part of Applied Physics Letters, p. 212502, 2006

• DOI for Ferromagnetism in Mn doped half-Heusler NiTiSn: Theory and experiment

Structure and magnetism of ultrathin epitaxial Fe on Ag(100)

Hallin, A.; Andersson, C.; Dunn, J. H.; Sanyal, Biplab et al.

Part of Phys. Rev., B, Condens, Matter Mater. Phys. (USA), 2006

Magnetic anisotropy of L1₀ FePt and Fe_1-xMn_xPt

Burkert, Till; Eriksson, Olle; Simak, Sergei I.; Ruban, Andrei V. et al.

Part of Physical Review B Condensed Matter, p. 134411, 2005

• DOI for Magnetic anisotropy of L1₀ FePt and Fe_1-xMn_xPt

Phase separation and charge localization in UHV-lithiated TiO2 nanoparticles

Richter, J. H.; Henningsson, A.; Sanyal, Biplab; Karlsson, P. G. et al.

Part of Physical Review B, p. 235419, 2005

Vanishing Magnetic Interaction in Ferromagnetic Thin Films

Hunter Dunn, Jonathan; Karis, Olof; Andersson, Cecilia; Arvanitis, Dimitri et al.

Part of Physical Review Letters, p. 4, 2005

Electronic structure and magnetism of diluted magnetic semiconductors - a first principles study

Sanyal, Biplab; Mirbt, Susanne

Part of JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, p. 1408, 2005

• DOI for Electronic structure and magnetism of diluted magnetic semiconductors - a first principles study

Vanishing Magnetic Interactions in Ferromagnetic Thin Films

Dunn, Jonathan H.; Karis, Olof; Andersson, Cecilia; Arvanitis, Dimitri et al.

Part of PHYSICAL REVIEW LETTERS, p. 217202, 2005

• DOI for Vanishing Magnetic Interactions in Ferromagnetic Thin Films

Phase separation and charge localization in UHV-lithiated anatase TiO2 nanoparticles

Richter, Jan Hinnerk; Henningsson, Anders; Sanyal, Biplab; Karlsson, Patrik et al.

Part of Physical Review B, p. 235419, 2005

• DOI for Phase separation and charge localization in UHV-lithiated anatase TiO2 nanoparticles

Electronic structure and magnetism of diluted magnetic semiconductors-a first principles study

Sanyal, Biplab; Mirbt, S.

Part of Journal of magnetism and magnetic materials, p. 1408, 2005

Electronic structure and magnetism of diluted magnetic semiconductors

Eriksson, Olle; Bergqvist, Lars; Sanyal, Biplab; Kudrnovsky, Josef et al.

Part of Journal of Physics, p. 5481, 2004

• DOI for Electronic structure and magnetism of diluted magnetic semiconductors

Electronic structure and magnetism of diluted magnetic semiconductors and derivatives

Sanyal, Biplab; Bergqvist, Lars; Eriksson, Olle; Johansson, Börje

Part of Journal of Magnetism and Magnetic Materials, 2004

• DOI for Electronic structure and magnetism of diluted magnetic semiconductors and derivatives

Final state effects in the X-ray absorption spectra of La0.7Sr0.3MnO3

Wessely, Ola; Roy, P.; Åberg, Daniel; Andersson, Cecilia et al.

Part of Journal of Magnetism and Magnetic Materials, 2004

Defect structure of Ga1−xMnxAs: A cross-sectional tunneling microscopy study

Mikkelsen, A; Sanyal, Biplab; Sadowski, J; Ouattara, L et al.

Part of Physical Review B, 2004

Ferromagnetic materials in the zinc-blende structure

Sanyal, Biplab; Bergqvist, Lars; Eriksson, Olle

Part of Physical Review B. Condensed Matter and Materials Physics, 2003

• DOI for Ferromagnetic materials in the zinc-blende structure

Magnetic and electronic structure of (Ga_1-xMn_x)As

Bergqvist, Lars; Korzhavyi, Pavel; Sanyal, Biplab; Mirbt, Susanne et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 205201, 2003

• DOI for Magnetic and electronic structure of (Ga_1-xMn_x)As

Initial and final state effects in the x-ray absorption process of La_1-xSr_xMnO₃

Wessely, Ola; Roy, P.; Åberg, Daniel; Andersson, C. et al.

Part of Physical Review B. Condensed Matter and Materials Physics, p. 235109, 2003

• DOI for Initial and final state effects in the x-ray absorption process of La_1-xSr_xMnO₃

Electronic structure and magnetism of Mn-doped GaN

Sanyal, Biplab; Bengone, Olivier; Mirbt, Susanne

Part of Physical Review B Condensed Matter, p. 205210, 2003

• DOI for Electronic structure and magnetism of Mn-doped GaN

First-principles calculations of Fe on GaAs(100)

Mirbt, Susanne; Sanyal, Biplab; Isheden, C; Johansson, B

Part of Physical Review B, p. 155421, 2003

Evidence for initial and final state effects in the x-ray absorption spectrum of La(1-x)Sr(x)MnO3

Wessely, Ola; Roy, P.; Åberg, Daniel; Andersson, Cecilia et al.

Part of Physical Review B: Condensed Matter and Materials Physics, p. 235109, 2003

• DOI for Evidence for initial and final state effects in the x-ray absorption spectrum of La(1-x)Sr(x)MnO3

Magnetic properties of 3d-impurities substituted in GaAs

Mirbt, Susanne; Sanyal, Biplab; Mohn, P.

Part of Journal of Physics, p. 3295, 2002

• DOI for Magnetic properties of 3d-impurities substituted in GaAs

Structural and magnetic properties of Fe/ZnSe interfaces

Sanyal, Biplab; Mirbt, Susanne

Part of Physical Review B, p. 144435, 2002

Ordering and segregation in XPt (X=V, Cu, and Au) random alloys - art. no. 134111

Sanyal, Biplab; Bose, SK; Drchal, V; Kudrnovsky, J

Part of PHYSICAL REVIEW B, p. 4111-+ Language: English, 2001

Electronic structure and related thermal and magnetic properties of some ternary Invar alloys

Sanyal, Biplab; Bose, S.K

Part of Physical Review B, p. 12730, 2000

A new class of coupled continuum equations for atomic growth on surfaces

Sanyal, Biplab; Mehta, A; Mookerjee, A

Part of Journal of Physics Condensed Matter, p. 4367, 1999

Initial and final state effects in x-ray absorption spectra of transition metal oxides

Andersson, P H; Klintenberg, Mattias; Henningsson, A; Sandell, A et al.

A new alloy for information storage

Andersson, Gabriella; Burkert, Till; Warnicke, Peter; Björck, Matts et al.

Part of Nature Materials

Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor

Chen, Xin; Li, Linyang; Sanyal, Biplab

Part of Physical Review B Condensed Matter

Room temperature two-dimensional antiferromagnetic Weyl semimetal CrO with giant spin-splitting and spin-momentum locked transport

Chen, Xin; Wang, Duo; Li, Linyang; Sanyal, Biplab

Oxygen vacancy induced ferromagnetism in SrMnO₃ thin film

Wang, Duo; Sanyal, Biplab

Structural and magnetic properties of amorphous Co_xZr_100-x films

Rani, Parul; Kurichenko, Vladislav; Gürbüz, Emel; Sanyal, Biplab et al.

Systematic study of amorphous 2D graphene, silicene and silicon carbide: Investigation of structural, electronic, optical and vibrational properties

Gürbüz, Emel; Sanyal, Biplab

Atomic Contributions to the Valence Band Photoelectron Spectra of Metal-free, Iron and Manganese Phthalocyanines

Bidermane, Ieva; Brumboiu, Iulia; Totani, Roberta; Grazioli, Cesare et al.

Part of Journal of Electron Spectroscopy and Related Phenomena, p. 92-97, 2015

• DOI for Atomic Contributions to the Valence Band Photoelectron Spectra of Metal-free, Iron and Manganese Phthalocyanines

Microscopic mechanisms for improper ferroelectricity in multiferroic perovskites: a theoretical review

Picozzi, Silvia; Yamauchi, Kunihiko; Sergienko, Ivan A.; Sen, Cengiz et al.

Part of Journal of Physics, p. 434208, 2008

• DOI for Microscopic mechanisms for improper ferroelectricity in multiferroic perovskites: a theoretical review

Electronic and magnetic properties of disordered Fe-Cr alloys using different electronic structure methods

Tarafder, Kartick; Ghosh, Subhradip; Sanyal, Biplab; Eriksson, Olle et al.

Part of Journal of Physics, p. 445201, 2008

• DOI for Electronic and magnetic properties of disordered Fe-Cr alloys using different electronic structure methods

Defects in Graphene and its Derivatives

Haldar, Soumyajyoti; Sanyal, Biplab

Part of Recent Advances in Graphene Research, p. 215-230, InTech, 2016

• DOI for Defects in Graphene and its Derivatives

Electronic and magnetic properties of patterned nanoribbons: A detailed computational study

Sanyal, Biplab

Part of Graphene, Wiley-VCH Verlagsgesellschaft, 2013

Graphene-Boron Nitride Composite: A Material with Advanced Functionalities

Bhandary, Sumanta; Sanyal, Biplab

Part of Composites and their properties, INTECH, 2012

Theory of diluted magnetic semiconductors

Eriksson, Olle; Iusan, M.; Thunström, Patrik; Hellsvik, J. et al.

Part of Advanced Functional Materials, p. 1-19, Elsevier, 2012

• DOI for Theory of diluted magnetic semiconductors

Multiferroics: Theory, mechanisms, and materials

Barone, P.; Sanyal, Biplab; Picozzi, S.

Part of Advanced Functional Materials, p. 129-161, Elsevier, 2012

• DOI for Multiferroics: Theory, mechanisms, and materials

Modeling ground state properties at the ferromagnet-semiconductor interface

Sanyal, Biplab; Mirbt, Susanne

Part of Computational modeling and simulation of materials III, part B, p. 283, 2004

Selective Self-Assembly of Few-Layer Graphene on Piezoelectric Polymer

Nordlund, Michael; Bhandary, Sumanta; Sanyal, Biplab; Almqvist, Nils et al.

2017

Self-assembly of few-layer graphene on polymer substrates

Nordlund, Michael; Bhandary, Sumanta; Sanyal, Biplab; Almqvist, Nils et al.

2016

First-Principles Study of Adsorption of Halogen Molecules on Graphene-MoS2 Bilayer Hetero-system

Lamichhane, S.; Lage, P.; Khatri, G. B.; Pantha, N. et al.

Part of 24Th Condensed Matter Days National Conference (Cmdays2016), 2016

• DOI for First-Principles Study of Adsorption of Halogen Molecules on Graphene-MoS2 Bilayer Hetero-system
• Download full text (pdf) of First-Principles Study of Adsorption of Halogen Molecules on Graphene-MoS2 Bilayer Hetero-system

Nanoscale structural and electronic modifications of graphene

Li, Hu; Daukiya, Lakshya; Haldar, Soumyajyoti; Lindblad, Andreas et al.

2015

Laser heated ferromagnetic simulations

Chimata, Raghuveer; Chico, Jonathan; Bergman, Anders; Berqvist, Lars et al.

Part of Ultrafast Magnetism I, p. 76-78, 2015

• DOI for Laser heated ferromagnetic simulations

Dip Deposition of Few-Layer Graphene on PVDF Substrate

Nordlund, Michael; Sumanta, Bhandary; Sanyal, Biplab; Löfqvist, Trobjörn et al.

2014

Few-layer graphene on polymer substrates

Nordlund, Michael; Bhandary, Sumanta; Sanyal, Biplab; Löfqvist, Torbjörn et al.

2014

Fabrication and Deposition of Few-Layer Graphene on a Piezoelectric Polymer

Nordlund, Michael; Bhandary, Sumanta; Sanyal, Biplab; Löfqvist, Torbjörn et al.

2013

Conduction properties of graphene as a function of ion irradiation and acid treatment

Blom, Tobias; Jafri, Hassan; Di Cristo, Valentina; Carva, Karel et al.

Part of Graphene 2011 - 11th to 14th April 2011. Bilbao, Spain., 2011

Electrical characterization of defect induced graphene nanosheets

Jafri, Hassan; Carva, Karel; Widenkvist, Erika; Blom, Tobias et al.

Part of Nanotech Europe 2009 - 28-30 september Berlin, 2009

In-situ contacting of nanosheets and remote EMCD

Rubino, Stefano; Jafri, Hassan; Blom, Tobias; Carva, Karel et al.

Part of 2nd International Workshop on Remote Electron Microscopy and In Situ Studies, Gothenburg, Sweden 16-18 November 2009, 2009

The effect of induced vacancy defects on resistivity of graphene

Jafri, Hassan; Carva, Karel; Widenkvist, Erika; Blom, Tobias et al.

Part of Scandem conference, Reykjavik 2009, 2009

Intercalation and Ultrasonic Treatment of Graphite: a New Synthetic Route to Graphene

Widenkvist, Erika; Quinlan, R.A.; Akhtar, Sultan; Rubino, Stefano et al.

2008

Control of Conductivity in Graphene by Formation of Defects

Jafri, Hassan; Blom, Tobias; Widenqvist, Erika; Carva, Karel et al.

Part of AVS 55th International Symposium & Exhibition 2008, October 19-24, Boston, USA, 2008

Conductivity engineering of graphene and carbon nanosheets by defect formation

Jafri, Hassan; Carva, Karel; Widenkvist, Erika; Blom, Tobias et al.

Part of Conference of the American Vacuum Society, Boston, 2008, 2008

Control of Conductivity in Graphene by Formation of Defects

Leifer, Klaus; Jafri, Hassan; Blom, Tobias; Widenqvist, E et al.

p. 59-59, 2008

Electronic and geometric structure of (Zn,Co)O room temperature Ferromagnets

Karis, Olof; Valizadeh, Sima; Surpi, Alessandro; HUNTER DUNN, J et al.

Part of 50th MMM Meeting Program, 2005

Phase separation in UHV lithiated titanium dioxide nanoparticles

Richter, J H; Henningsson, A; Sanyal, Biplab; Karlsson, P G et al.

Part of ICTF 13/ACSIN 8, 2005

The effect of induced vacancy defects on resistivity of graphene

Jafri, Hassan; Carva, Carel; Widenqvist, Erika; Blom, Tobias et al.

Part of Scandem conference

Electronic structure and x-ray absorption spectroscopy of TiO2 and Li0.5TiO2

Henningsson, A; Sandell, A; Siegbahn, H; Andersson, P H et al.

Multilayers of rare-earth and transition metals—a high moment magnetic material

Sanyal, Biplab; Burkert, Till; Eriksson, Olle; Heinonen, Olle

Threshold effects in the O 1s x-ray absorption spectrum of TiO2

Richter, J. H.; Sanyal, Biplab; Karlsson, P. G.; Henningsson, A. et al.

Theoretical analysis of how high the ordering temperature of diluted magnetic semiconductors can become

Iusan, Diana; Sanyal, Biplab; Bergqvist, Lars; Dederichs, P. H. et al.

A first principles study of the stability and mobility of defects in titanium carbide

Råsander, Mikael; Sanyal, Biplab; Eriksson, Olle; Jansson, Ulf

Quasiperiodic van der Waals heterostructures of graphene and h-BN

Bhandary, Sumanta; Haldar, Soumyajyoti; Sanyal, Biplab

Correlated electron behavior of metalorganic molecules: insights from density functional theory and exact diagonalization studies.

Bhandary, Sumanta; Wehling, Tim; Eriksson, Olle; Sanyal, Biplab

Dirac cones in oxygen functionalized two-dimensional honeycomb and zigzag dumbbell silicene

Chen, Xin; Li, Linyang; Peeters, Francois M.; Sanyal, Biplab

Surface and interface properties of graphene on titanium carbide: A first principles study

Råsander, Mikael; Bergman, Anders; Delin, Anna; Sanyal, Biplab et al.

Ultrafast Spin Dynamics of Ru in Ru/Fe₆₅Co₃₅/Ru heterostructures: Effect of Re doping

Gupta, Rahul; Malik, Rameez Saeed; Chen, Xin; Saha, Susmita et al.

Controlling electronic structure and transport properties of zigzag graphene nanoribbons by mono- and difluorinated edge functionalization

Bhandary, Sumanta; Penazzi, Gabriele; Fransson, Jonas; Frauenheim, Thomas et al.

Structural and magnetic properties of amorphous Co_xZr_100−x films

Rani, Parul; Kurichenko, Vladislav; Gürbüz, Emel; Sanyal, Biplab et al.

Superconductivity in amorphous Mo_xGe_100-x: insights from first principles

Gürbüz, Emel; Miranda, Ivan P.; Karmakar, Debjani; Eriksson, Olle et al.

Analysis of Fe/MgAl2O4 interface by electron magnetic circular dichroismat single atomic lattice plane resolution

Kumar, Sharath; Ravensburg, Anna L.; Xie, Ling; Sanyal, Biplab et al.