S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton
Phys. Rev. B 57, 1505 – Published 15 January 1998


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.
  • Received 23 June 1997
DOI:https://doi.org/10.1103/PhysRevB.57.1505

©1998 American Physical Society
To download the article click on the link below: