| Autor: |
Yamaguchi, Tatsuya, Higashi, Keisuke, Regoutz, Anna, Takahashi, Yoshihiro, Lazemi, Masoud, Che, Qijun, de Groot, Frank M. F., Hariki, Atsushi |
| Rok vydání: |
2024 |
| Předmět: |
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| Zdroj: |
Physical Review B 109, 205143 (2024) |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1103/PhysRevB.109.205143 |
| Popis: |
We present a comparative analysis of 1$s$ and 2$p$ core-level hard X-ray photoelectron spectroscopy (HAXPES) spectra in metallic VO$_2$ and CrO$_2$. Even though the V 1$s$ and 2$p$ spectra in VO$_2$ display similar line shapes except the absence or presence of a spin-orbit coupling splitting, the Cr 1$s$ and 2$p$ spectra exhibit distinct main-line shapes. The experimental HAXPES spectra are analyzed by the Anderson impurity model based on the density functional theory + dynamical mean-field theory and a conventional MO$_6$ cluster model. We elucidate the complex interplay between formation of the intra-atomic multiplet and charge transfer effect on the chemical bonding followed by the 1$s$ and 2$p$ core electron excitations. We demonstrate the advantage of the 1$s$ excitations to the routinely-employed 2$p$ excitations for distinguishing between metal-ligand and metal-metal charge transfer contributions in early 3$d$ transition-metal oxides. |
| Databáze: |
arXiv |
| Externí odkaz: |
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