论文标题

X射线吸收光谱理论:二维固态的微观BLOCH方程方法

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

论文作者

Christiansen, Dominik, Selig, Malte, Biegert, Jens, Knorr, Andreas

论文摘要

我们通过结合Bloch定理和库仑多体相互作用来开发一种自洽的Maxwell-Bloch形式主义,用于X射线与二维晶体材料的相互作用。通过计算依赖极化依赖性的XANE的石墨烯的形式主义,为核心孔的辐射和Meinter-aigiager重组的表达式以及对Exafs频谱振荡的讨论超出点散射理论的频谱振荡的讨论。特别是,在我们的评估中正确包含晶格周期性,使我们能够在傅立叶变换的EXAFS光谱中分配到迄今未解释的光谱特征。

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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