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

Autor: Dominik Christiansen, Malte Selig, Jens Biegert, Andreas Knorr
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Physical Review Research, Vol 5, Iss 2, p 023002 (2023)
Druh dokumentu: article
ISSN: 2643-1564
DOI: 10.1103/PhysRevResearch.5.023002
Popis: 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.
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