论文标题
固体的共振非弹性X射线散射的激发途径
Excitation Pathways in Resonant Inelastic X-Ray Scattering of Solids
论文作者
论文摘要
我们提出了共振非弹性X射线散射（RIX）的新型推导，该散射（RIX）在中间和最终多体状态之间的发射途径方面产生了RIXS横截面的表达。因此，通过在全电子第一原理框架内的伯特 - 盐分方程的完全对角线化获得了电子孔相互作用。我们用LIF中氟K边缘的发射光谱展示了我们的方法，并对确定光谱形状的途径进行了深入的分析。激子效应显示在价和核心方案中都起着至关重要的作用。
We present a novel derivation of resonant inelastic x-ray scattering (RIXS) which yields an expression for the RIXS cross section in terms of emission pathways between intermediate and final many-body states. Thereby electron-hole interactions are accounted for, as obtained from full diagonalization of the Bethe-Salpeter equation within an all-electron first-principles framework. We demonstrate our approach with the emission spectra of the fluorine K edge in LiF, and provide an in-depth analysis of the pathways that determine the spectral shape. Excitoninc effects are shown to play a crucial role in both the valence and core regime.
