Effect of non-muffin-tin potential on electronic structure of NiO

Authors
Qian, MC Hu, WY Zheng, QQ
Citation
Mc. Qian et al., Effect of non-muffin-tin potential on electronic structure of NiO, CHIN PHYS L, 15(11), 1998, pp. 828-830
Citations number
10
Categorie Soggetti
Physics
Journal title
CHINESE PHYSICS LETTERS
ISSN journal
0256307X → ACNP
Volume
15
Issue
11
Year of publication
1998
Pages
828 - 830
Database
ISI
SICI code
0256-307X(1998)15:11<828:EONPOE>2.0.ZU;2-1
Abstract
The electronic structure of NiO has been calculated within the self-consist ent local spin density approximation(LSDA) as well as with on-site Coulomb interaction(LSDA + U) method. Considering NiO as a typical ionic crystal, t he linear muffin-tin orbitals: with the ionic sphere approximation method i s used. The effect of nonspherical crystalline held is taken into account p recisely. The obtained energy-dispersion bands are in agreement with the re cant angle-resolved-photoemission spectra.