Institute for Solid State Physics, TU Wien, 1040 Vienna, Austria.
Institute of Physics, Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czech Republic.
Phys Rev Lett. 2018 Sep 21;121(12):126403. doi: 10.1103/PhysRevLett.121.126403.
We present a theoretical investigation of the origin of Raman-like and fluorescencelike (FL) features of resonant inelastic x-ray scattering (RIXS) spectra. Using a combination of local-density approximation+dynamical mean-field theory and a configuration interaction solver for Anderson impurity model, we calculate the L-edge RIXS and x-ray absorption spectra of high-valence transition-metal oxides LaCuO_{3} and NaCuO_{2}. We analyze in detail the behavior of the FL feature and show how it is connected to the details of electronic and crystal structure. On the studied compounds we demonstrate how material details determine whether the electron-hole continuum can be excited in the L-edge RIXS process.
我们提出了一个关于共振非弹性 X 射线散射（RIXS）光谱中拉曼和荧光（FL）特征起源的理论研究。我们使用局域密度近似+动态平均场理论和 Anderson 杂质模型的组态相互作用求解器，计算了高价过渡金属氧化物 LaCuO_{3}和 NaCuO_{2}的 L 边 RIXS 和 X 射线吸收光谱。我们详细分析了 FL 特征的行为，并展示了它如何与电子和晶体结构的细节相关联。在所研究的化合物中，我们演示了材料细节如何决定 L 边 RIXS 过程中是否可以激发电子-空穴连续体。
