Minisymposium

Schedule

13:15-14:00: Phillipp Hansmann, FAU Erlangen-Nürnberg At the interface between Molecules and Solids: Where Condensed Matter Physics meets Quantum Chemistry

14:00-14:45: Jan Kunes, Masaryk University, Brno Core-level spectroscopy — not only altermagnets

Coffee Break: 14:45-15:00

15:00-15:30: Oscar Grånäs, UU Theoretical spectroscopy for strongly optically driven materials using TDDFT

15:30-16:00: Laurent Duda, UU Revealing battery secrets with meV-resolution RIXS

16:00-16.30: Vishal Shokeen, UU Time-resolved ARPES at Freia

Abstracts

At the interface between Molecules and Solids: Where Condensed Matter Physics meets Quantum Chemistry

Phillipp Hansmann, FAU Erlangen-Nürnberg

I will present two ongoing projects. The first one is recent progress we made in machine-learning–supported configuration interaction (NNCI) calculations, developed in collaboration with quantum chemists at the University of Iceland (Reykjavik), and applied to the single impurity Anderson model as well as to the the nitrogen molecule dissociation curve. In the second project we use DFT+DMFT to explores the possibility to engineere adatom lattices on SiC surfaces as realizations of (single- and multi-band) Hubbard models.

Core-level spectroscopy — not only altermagnets
Jan Kunes, Masaryk University, Brno

X-ray magnetic circular dichroism (XMCD) is a well-established technique for investigating magnetism. I will present experimental and computational XMCD spectra of several popular altermagnets. The origin and symmetry aspects of the phenomenon will be discussed as well as its potential application for determination of the direction of the Neel vector and mapping of altermagnetic domains. In the second part of the talk, I will discuss another popular x-ray tool, resonant inelastic x-ray scattering (RIXS), and its combination with circularly polarized x-rays. Unlike XMCD, the RIXS-CD in magnetic materials has just started to attract experimental interest and its theoretical foundations are being established. Interestingly, the symmetry properties of RIXS-CD are rather different from XMCD with interesting consequences such as finite CD in the paramagnetic states in certain symmetries.