Susanne Mirbt
Head of unit at University Administration; Division for Quality Enhancement; Academic Teaching and Learning
- Mobile phone:
- +46 70 883 42 82
- E-mail:
- susanne.mirbt@uu.se
- Visiting address:
- Dag Hammarskjöldsväg 7
75237 Uppsala - Postal address:
- Box 256
75105 Uppsala
Professor at Department of Physics and Astronomy; Materials Theory
- Telephone:
- +46 18 471 36 22
- Mobile phone:
- +46 70 883 42 82
- E-mail:
- susanne.mirbt@uu.se
- Visiting address:
- Ångströmlaboratoriet, Regementsvägen 10
- Postal address:
- Box 516
751 37 UPPSALA
Keywords
- density functional theory
- chalcogenides
- condensed matter physics
- semiconductor defects
- polarons
- interface magnetism
- iii-v semiconductors
- tio2
- materials theory

Publications
Recent publications
2020
Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces
Part of The Journal of Physical Chemistry C, p. 11325-11334, 2017
High resistivity in undoped CdTe: carrier compensation of Te antisites and Cd vacancies
Part of Journal of Physics D, 2016
Part of AIP Advances, 2015
- DOI for Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles
- Download full text (pdf) of Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles
Small hole polaron in CdTe: Cd-vacancy revisited
Part of Scientific Reports, 2015
- DOI for Small hole polaron in CdTe: Cd-vacancy revisited
- Download full text (pdf) of Small hole polaron in CdTe: Cd-vacancy revisited
All publications
Articles in journal
Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces
Part of The Journal of Physical Chemistry C, p. 11325-11334, 2017
High resistivity in undoped CdTe: carrier compensation of Te antisites and Cd vacancies
Part of Journal of Physics D, 2016
Part of AIP Advances, 2015
- DOI for Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles
- Download full text (pdf) of Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles
Small hole polaron in CdTe: Cd-vacancy revisited
Part of Scientific Reports, 2015
- DOI for Small hole polaron in CdTe: Cd-vacancy revisited
- Download full text (pdf) of Small hole polaron in CdTe: Cd-vacancy revisited
Materials modelling for energy and fuels: From photovoltaics to photocatalysis
Part of Abstracts of Papers of the American Chemical Society, 2014
Excess electron trapping at surface oxygen vacancy in TiO2: Origin of STM anomaly
Part of Abstracts of Papers of the American Chemical Society, 2014
Bipolaron Formation Induced by Oxygen Vacancy at Rutile TiO2(110) Surfaces
Part of The Journal of Physical Chemistry C, p. 9429-9435, 2014
Tailoring of defect levels by deformations: Te-antisite in CdTe
Part of Journal of Physics, p. 415801, 2013
Hydrogen on III-V (110) surfaces: Charge accumulation and STM signatures
Part of Physical Review B. Condensed Matter and Materials Physics, 2013
Part of Journal of Physics, p. 435504, 2012
Influence of Vanadium spin-polarization on the dissolution of Hydrogen in Vanadium
Part of Physical Review B. Condensed Matter and Materials Physics, 2009
Density functional theory calculations of defect energies using supercells
Part of Modelling and Simulation in Materials Science and Engineering, 2009
Increasing the equilibrium solubility of dopants in semiconductor multilayers and alloys
Part of Physical Review Letters, p. 105501, 2008
Breakdown of cation vacancies into anion vacancy-antisite complexes on III-V semiconductor surfaces
Part of Physical Review B. Condensed Matter and Materials Physics, p. 155318, 2008
Anomalous bismuth-stabilized (2x1) reconstructions on GaAs(100) and InP(100) surfaces
Part of Physical Review Letters, 2008
Anomalies in transition metal conductivity: Strong evidence for Fermi-velocity dominance
Part of Physical Review B. Condensed Matter and Materials Physics, p. 155123, 2008
Part of Physical Review B. Condensed Matter and Materials Physics, p. 195304, 2008
Diffusion mechanism of Zn in InP and GaP from first principles
Part of Physical Review B. Condensed Matter and Materials Physics, p. 113201, 2008
Theoretical calculations of mobility enhancement in strained silicon
Part of Physical Review B. Condensed Matter and Materials Physics, p. 195213, 2007
Point defects on the (110) surfaces of InP, InAs, and InSb: A comparison with bulk
Part of Physical Review B. Condensed Matter and Materials Physics, 2006
Part of Phys. Rev. B, 2006
Part of Physical Review B, p. 11, 2006
Electronic structure and magnetism of diluted magnetic semiconductors-a first principles study
Part of Journal of magnetism and magnetic materials, p. 1408, 2005
Electronic structure and magnetism of diluted magnetic semiconductors - a first principles study
Part of JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, p. 1408, 2005
H placement in Cr(Mo, Fe)/V supercells: The origin of the dead layers
Part of Physical Review B, 2005
Relative concentration and structure of native defects in GaP
Part of Phys. Rev. B, p. 195213, 2005
H placement in Cr(Mo,Fe)/V supercells: The origin of the dead layers.
Part of Physical Review B, 2005
Effect of the Mn clustering in (GaMn)N on magnetic transition temperature
Part of Physical Review B, 2005
Relative concentration and structure of native defects in GaP
Part of Physical Review B, p. 195213, 2005
Defect structure of Ga1−xMnxAs: A cross-sectional tunneling microscopy study
Part of Physical Review B, 2004
Resistivity of hydrogen-loaded Fe/V and Mo/V (100) superlattices: The role of vanadium expansion
Part of Phyical Review B, p. 205409, 2004
Resistivity of hydrogen-loaded Fe/V and Mo/V (100) superlattices: The role of vanadium expansion
Part of Phyical Review B, p. 205409.1-205409, 2004
Origin of the negative GMR effects in Cr_xCo_1-x/cu/Co (111) trilayers
Part of Physical Review B, 2004
Part of Physical Review B, p. 195202, 2004
Resistivity of hydrogen-loaded Fe/V and Mo/V (100) superlattices: The role of vanadium expansion
Part of Physical Review, p. 205409, 2004
Magnetic and electronic structure of (Ga1-xMnx)As
Part of Physical Review B. Condensed Matter and Materials Physics, p. 205201, 2003
Electronic structure and magnetism of Mn-doped GaN
Part of Physical Review B Condensed Matter, p. 205210, 2003
First-principles calculations of Fe on GaAs(100)
Part of Physical Review B, p. 155421, 2003
Structure of the P vacancy on the InP(110) surface from first principles
Part of Physical Review B, 2003
Structure of the [Zn_In-V_P] defect complex in Zn doped InP
Part of Physical Review B, 2003
Magnetic properties of 3d-impurities substituted in GaAs
Part of Journal of Physics, p. 3295, 2002
Structural and magnetic properties of Fe/ZnSe interfaces
Part of Physical Review B, p. 144435, 2002
Atomic and electronic properties on the In-group-V (110) anion vacancy surfaces
Part of Physical Review B, p. 155326, 2002
A general rule for surface reconstructions of III-V semiconductors
Part of Surface Science, p. 177, 1999
Trends and anomalies in 3d transition metal conductivity
Part of Physical Review Letters
Why does charge accumulate on the surfaces of InAs but not on other III-V semiconductors?
The nature of cation vacancies on III-V semiconductor surfaces
Chapters in book
Modeling ground state properties at the ferromagnet-semiconductor interface
Part of Computational modeling and simulation of materials III, part B, p. 283, 2004
Conference papers
Manuscripts (preprints)
Influence of magnetization on Hydrogen dissolution in Vanadium
Ordered defect phases in CIGS form llocalized electron paths
Calculated STM-images of native defects on the (110) surfaces of InP, InAs, and InSb
Piezoresistivity of Metals: Manifestation of orbital orientation
Conductivity variation upon hydrogen loading within Cr/V multi layers