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arXiv 0712.1406cond-mat.mtrl-sci
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3C- SiC Si K边动量相关共振非弹性X射线散射:谱与价带色散关系的理论研究

Momentum-dependent resonant inelastic X-ray scattering at the Si K edge of 3C-SiC: A theoretical study on a relation between spectra and valence band dispersion

Yunori Nisikawa, Muneharu Ibuki, Manabu Usuda

摘要:

我们从理论上证明了具有相当大动量转移的共振非弹性X射线散射(RIXS)可以用来研究宽带材料的价带色散。我们以3C-SiC的Si K边缘处的RIXS为典型例子。RIXS谱是在从头计算的基础上,通过系统地改变转移动量、入射光子偏振和入射光子能量来计算的。我们发现,光谱很大程度上依赖于转移动量和入射光子的偏振,光谱中的峰对应于价带的能量。我们的结论是,价带的能量色散的信息可以提取从转移动量的RIXS谱的依赖。这些发现为RIXS在研究宽带材料能带结构时的进一步应用提供了依据。

英文摘要:

We theoretically demonstrate that a resonant inelastic x-ray scattering (RIXS) with a sizable momentum transfer can be utilized to study valence band dispersion for broad band materials. We take RIXS at the Si K edge of 3C-SiC as a typical example. The RIXS spectra are calculated by systematically changing the transferred momentum, an incident photon polarization and an incident photon energy, on the basis of an ab initio calculation. We find that the spectra depend heavily on both the transferred momentum and the incident photon polarization, and the peaks in the spectra correspond to the energies of the valence bands. We conclude that the information on the energy dispersion of valence bands can be extracted from the transferred momentum dependence of the RIXS spectra. These findings lead to further application for RIXS when investigating the band structure of broad band materials.

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