论文标题
氧气$ k $ - 绝缘蛋饼的谐振非弹性X射线散射的数值研究
Numerical study of resonant inelastic X-ray scattering at the oxygen $K$-edge in insulating cuprates
论文作者
论文摘要
我们通过三种方法研究了O $ k $边缘的共振非弹性X射线散射（RIX），该方法通过三种方法进行了隔热库酸酯的隔热：聚类扰动理论（CPT），Hartree-Fock近似（HFA）和精确的对角色（ED）方法。我们考虑了三频哈伯德模型，并显示了Zhang-rice Singlet（ZRS）激发和电荷转移激发的总体动量依赖性，并结合了扰动方案。使用CPT和HFA计算出的RIX光谱的比较，通过上哈伯德频带和ZRS频段的性质变化揭示了不同的动量依赖性。这些发现是通过在RIXS光谱和动态电荷结构因子上使用ED方法的分析来支持的。
We investigate resonant inelastic X-ray scattering (RIXS) at the O $K$-edge in insulating cuprates by means of three methods: cluster perturbation theory (CPT), Hartree--Fock approximation (HFA) and exact diagonalization (ED) method. We consider the three-band Hubbard model and show the overall momentum-dependence of the Zhang--Rice singlet (ZRS) excitation and charge-transfer excitation by the CPT combining with the perturbation scheme. A comparison of the RIXS spectra calculated using CPT and HFA reveals different momentum-dependencies through the changes in the properties of the upper Hubbard band and the ZRS band. These findings are supported by analyses using the ED method on the RIXS spectra and dynamical charge structure factor.
