Theory of X-ray absorption spectroscopy: a microscopic Bloch equation approach for two-dimensional solid states

Dominik Christiansen, Malte Selig, Jens Biegert, Andreas Knorr

Published 2022-12-09Version 1

We develop a self-consistent Maxwell-Bloch formalism for the interaction of X-rays with two-dimensional crystalline materials by incorporating the Bloch theorem and Coulomb many-body interaction. This formalism is illustrated for graphene, by calculating the polarization-dependent XANES, formulating expressions for the radiative and Meinter-Auger recombination of core-holes, and the discussion of microscopic insights into the spectral oscillations of EXAFS beyond point scattering theory. In particular, the correct inclusion of lattice periodicity in our evaluation allows us to assign so far uninterpreted spectral features in the Fourier transformed EXAFS spectrum.