Vibronic excitations in resonant inelastic x-ray scattering spectra of K2RuCl6

被引：7
|
作者：
Iwahara, Naoya [1 ]
Shikano, Shouta [2 ]
机构：
[1] Chiba Univ, Grad Sch Engn, 1-33 Yayoi Cho,Inage Ku, Chiba, Chiba 2638522, Japan
[2] Chiba Univ, Fac Engn, Dept Mat Sci, 1-33 Yayoi Cho,Inage Ku, Chiba, Chiba 2638522, Japan
来源：
PHYSICAL REVIEW RESEARCH | 2023年 / 5卷 / 02期
基金：
日本学术振兴会;
关键词：
Engineering Village;
D O I：
10.1103/PhysRevResearch.5.023051
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We present the fingerprints of the dynamic Jahn-Teller effect in resonant inelastic x-ray scattering (RIXS) spectra of K2RuCl6. We determined the dynamic Jahn-Teller model Hamiltonian of an embedded Ru4+ ion using post-Hartree-Fock methods, and derived the vibronic states by numerically diagonalizing the Hamiltonian. With the obtained vibronic states, we reproduced the RIXS spectra. The shape and the temperature dependence of the RIXS spectrum agree well with the experimental data. We found that some peaks emerge due to the dynamic Jahn-Teller effect rather than the crystal-field splitting. Our paper indicates the significance of the Jahn-Teller coupling to adequately interpret RIXS spectra.
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页数：10
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