COMPUTER-SIMULATION OF POINT-DEFECTS AND OXYGEN MIGRATION IN TL2BA2CACU2O8

Authors
MOSEEV NV
Citation
Nv. Moseev, COMPUTER-SIMULATION OF POINT-DEFECTS AND OXYGEN MIGRATION IN TL2BA2CACU2O8, Modelling and simulation in materials science and engineering, 6(4), 1998, pp. 343-347
Citations number
12
Categorie Soggetti
Material Science","Physics, Applied
Journal title
Modelling and simulation in materials science and engineering → ACNP
ISSN journal
09650393
Volume
6
Issue
4
Year of publication
1998
Pages
343 - 347
Database
ISI
SICI code
0965-0393(1998)6:4<343:COPAOM>2.0.ZU;2-0
Abstract
Point-defect formation energies were calculated using a molecular stat ic method in a Mott-Littleton approximation for defects in ionic cryst als. Energy barriers for oxygen migration in metal-oxygen planes were determined. The results obtained are compared with the experimental on es and those previously calculated for Bi2Sr2CaCu2O8.