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arXiv 2212.04727cond-mat.mes-hall
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X射线吸收光谱理论:二维固体的微观Bloch方程方法

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

Dominik Christiansen, Malte Selig, Jens Biegert, Andreas Knorr

摘要:

结合布洛赫定理和库仑多体相互作用,建立了X射线与二维晶体相互作用的自洽Maxwell-Bloch形式。这种形式主义说明石墨烯,通过计算偏振相关的XANES,制定表达式的辐射和Meinter-Auger重组的核心孔,和讨论的EXAFS超越点散射理论的光谱振荡的微观见解。特别是,在我们的评估晶格周期性的正确列入,使我们能够分配到目前为止未解释的光谱特征的傅立叶变换EXAFS光谱。

英文摘要:

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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