Partial contributions to the valence band of MO2, RuO2, and Rh2O3: Cooper minimum and extended cluster model calculations

Author(s)

Stoeberl, V. ^[1] ; Guedes, E. B. ^[2] ; Abud, F. ^[3] ; Jardim, R. F. ^[3] ; Abbate, M. ^[1] ; Mossanek, R. J. O. ^[1]

Affiliation

^[1] Univ Fed Parana, Dept Fis, Caixa Postal 19044, BR-81531990 Curitiba, Parana - Brazil

^[2] Paul Scherrer Inst, Photon Sci Div, CH-5232 Villigen - Switzerland

^[3] Univ Sao Paulo, Inst Fis, Rua Matao 1371, BR-05508090 Sao Paulo, SP - Brazil

• Document type: Journal article
• Source: EPL; v. 132, n. 4 NOV 2020.
• Web of Science Citations: 0

Abstract

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. (AU)

• FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
• Grantee: Elson Longo da Silva
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC