EFFECT OF THE 2 DISTINCT BI ON THE ELECTRONIC-STRUCTURE OF BABIO3

Authors
ZHANG ZP SHEN YW HUANG MC
Citation
Zp. Zhang et al., EFFECT OF THE 2 DISTINCT BI ON THE ELECTRONIC-STRUCTURE OF BABIO3, Chinese Physics Letters, 10(6), 1993, pp. 371-373
Citations number
13
Categorie Soggetti
Physics
Journal title
Chinese Physics Letters → ACNP
ISSN journal
0256307X
Volume
10
Issue
6
Year of publication
1993
Pages
371 - 373
Database
ISI
SICI code
0256-307X(1993)10:6<371:EOT2DB>2.0.ZU;2-M
Abstract
The band-structure of BaBiO3 has been calculated by using LMTO-ASA met hod to a supercell, in which the breathing-mode displacements of oxyge n atoms and two oxidation states of Bi were considered. The results in dicate that BaBiO3 is a semiconductor with a gap of 1.5eV, which, unli ke previous calculations, is essentially consistent with experiments.