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Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study

S. L. Dudarev; Gianluigi A. Botton; Sergey Y. Savrasov; C. J. Humphreys; Adrian P. Sutton · Physical review. B, Condensed matter · 1998

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Author / responsible party
S. L. Dudarev; Gianluigi A. Botton; Sergey Y. Savrasov; C. J. Humphreys; Adrian P. Sutton
Publisher
Physical review. B, Condensed matter
Year
1998
Language
English

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Summary

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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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APA 7

Dudarev, S. L, Botton, G. A, Savrasov, S. Y, Humphreys, C. J, & Sutton, A. P. (1998). Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study. https://doi.org/10.1103/physrevb.57.1505

MLA

Dudarev, S. L, et al. "Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study." 1998. https://doi.org/10.1103/physrevb.57.1505.

Chicago

Dudarev, S. L, Gianluigi A. Botton, Sergey Y. Savrasov, C. J. Humphreys, and Adrian P. Sutton. 1998. "Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study.". https://doi.org/10.1103/physrevb.57.1505.

Harvard

Dudarev, S. L. et al. 1998, Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study, Physical review. B, Condensed matter, available at: https://doi.org/10.1103/physrevb.57.1505 [Accessed 8 Aug. 2026].

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Title
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
Author / contributors
S. L. Dudarev; Gianluigi A. Botton; Sergey Y. Savrasov; C. J. Humphreys; Adrian P. Sutton
Publisher
Physical review. B, Condensed matter
Publication year
1998
Language
English

Subjects

Explore related resources through these subjects.

Nickel; Electron; Materials science; Oxide; Ion; Spectral line; Density functional theory; Structural stability; Metal; Shell (structure); Stability (learning theory); Condensed matter physics
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