Journal article
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.
Authors
Dudarev SL; Botton GA; Savrasov SY; Humphreys CJ; Sutton AP
Journal
Physical Review B, Vol. 57, No. 3, pp. 1505–1509
Publisher
American Physical Society (APS)
Publication Date
January 15, 1998
DOI
10.1103/physrevb.57.1505
ISSN
2469-9950