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arXiv 2209.14656cond-mat.str-elcond-mat.supr-con
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绝缘铜氧化物中氧$K$边共振非弹性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

Yukihiro Matsubayashi, Sumio Ishihara

摘要:

本文用集团微扰理论(CPT)、Hartree-Fock近似(HFA)和精确对角化(ED)方法研究了绝缘铜氧化物中O $K$边的共振非弹性X射线散射(RIXS)。我们考虑三带哈伯德模型,用CPT结合微扰方法给出了Zhang-Rice单重态(ZRS)激发和电荷转移激发的动量依赖关系。使用CPT和HFA计算的RIXS光谱的比较揭示了不同的动量依赖性,通过上哈伯德带和ZRS带的属性的变化。这些发现得到了支持的分析,使用ED方法的RIXS光谱和动态电荷结构因子。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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