COMPUTER MODELING OF THE MIGRATION PROPERTIES OF OXYGEN IN BA1-XKXBIO3

Authors
MOSEEV NV
Citation
Nv. Moseev, COMPUTER MODELING OF THE MIGRATION PROPERTIES OF OXYGEN IN BA1-XKXBIO3, Technical physics letters, 24(2), 1998, pp. 162-163
Citations number
6
Categorie Soggetti
Physics, Applied
Journal title
Technical physics letters → ACNP
ISSN journal
10637850
Volume
24
Issue
2
Year of publication
1998
Pages
162 - 163
Database
ISI
SICI code
1063-7850(1998)24:2<162:CMOTMP>2.0.ZU;2-W
Abstract
A molecular statics method is used to calculate the energy barriers fo r the migration of oxygen ions in BaBiO3 and Ba1-xKxBiO3 Vacancy and i nterstitial mechanisms of diffusion are considered. The lowest energy barrier was obtained for the vacancy mechanism. (C) 1998 American Inst itute of Physics. [S1063-7850(98)03402-8].