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Partial contributions to the valence band of MO2, RuO2, and Rh2O3: Cooper minimum and extended cluster model calculations
EPL ( IF 1.8 ) Pub Date : 2020-12-31 , DOI: 10.1209/0295-5075/132/47004
V. Stoeberl 1 , E. B. Guedes 2 , F. Abud 3 , R. F. Jardim 3 , M. Abbate 1 , R. J. O. Mossanek 1
Affiliation  

We studied the partial contributions to the valence band spectra of MoO2, RuO2 and Rh2O3. The experimental technique of choice was the Cooper minimum method to X-ray photoemission spectroscopy. The spectra were interpreted with an extended cluster model and compared to usual band structure calculations. We conclude that, for the correct description of the valence band, one must include charge transfer, final-state and many-body effects in the description of the electronic structure of these compounds, which can also be extended to other systems.



中文翻译:

对MO 2,RuO 2和Rh 2 O 3的价带的部分贡献:Cooper最小和扩展簇模型计算

我们研究了MoO 2,RuO 2和Rh 2 O 3对价带谱的部分贡献。选择的实验技术是X射线光电子能谱的Cooper最小方法。用扩展的簇模型解释光谱,并与通常的能带结构计算进行比较。我们得出结论,为了正确地描述价带,必须在描述这些化合物的电子结构时包括电荷转移,最终状态和多体效应,这些也可以扩展到其他系统。

更新日期:2020-12-31
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