X-ray spectroscopy and electronic structure of MoO2
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- 作者：V. Stoeberla ; M. Abbatea ; L.M.S. Alvesb ; C.A.M. dos Santosb ; R.J.O. Mossaneka ; mossanek@fisica.ufpr.br" class="auth_mail" title="E-mail the corresponding author
- 关键词：MoO2 ; Electronic structure ; Cluster model ; X-ray photoemission ; X-ray absorption ; Resonant photoemission
- 刊名：Journal of Alloys and Compounds
- 出版年：2017
- 出版时间：15 January 2017
- 年：2017
- 卷：691
- 期：Complete
- 页码：138-143
- 全文大小：961 K
文摘
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An electronic structure analysis of MoO2 based on an extended cluster model was performed.
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Both local and nonlocal screenings are necessary to describe MoO2 electronic structure.
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A highly mixed covalent Mott-Hubbard regime is confirmed by the calculations.
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Mo L3 resonant photoemission spectra of MoO2 is presented for the first time.
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