Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
- 15 January 1998
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 57 (3), 1505-1509
- https://doi.org/10.1103/physrevb.57.1505
Abstract
We demonstrate how by taking better account of electron correlations in the 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.
Keywords
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