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Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
Abstract
We demonstrate how by taking better account of electron correlations in the $3d$ shell of metal ions in nickel oxide it is possible to improve the description of both electron energy loss spectra and parameters characterizing the structural stability of the material compared with local spin density functional theory.
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Metadata
- Authors
- Dudarev, S. L., Botton, G. A., Savrasov, S. Y., Humphreys, C. J., & Sutton, A. P.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1998-01-15
- Volume
- 57
- Issue
- 3
- Pages
- 1505-1509
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W1986731219
- Cited by
- 15,173
- References
- 0
- FWCI
- 2.70
- Type
- journal article
- Language
- en
- Open access
- closed
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