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

199814,448 citationsJournal Article

Authors

Gianluigi A. Botton · University of Oxford

Sergey Y. Savrasov · Max Planck Institute for Solid State Research

C. J. Humphreys · University of Cambridge

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.

Topics & Keywords

Transition Metal Oxide Nanomaterials Advanced Chemical Physics Studies Electron and X-Ray Spectroscopy Techniques

UN Sustainable Development Goals

Affordable and clean energy

Publication Details

Published in: Physical review. B, Condensed matter

Volume 57, Issue 3, pp. 1505-1509

DOI: 10.1103/physrevb.57.1505

Field-Weighted Citation Impact: 4.35