BREAKING OF SYMMETRY OF ONE-ELECTRON ORBITALS AT OXYGEN VACANCIES IN PEROVSKITE-TYPE OXIDES

Authors
PROSANDEYEV SA TESLENKO NM FISENKO AV
Citation
Sa. Prosandeyev et al., BREAKING OF SYMMETRY OF ONE-ELECTRON ORBITALS AT OXYGEN VACANCIES IN PEROVSKITE-TYPE OXIDES, Journal of physics. Condensed matter, 5(50), 1993, pp. 9327-9344
Citations number
12
Categorie Soggetti
Physics, Condensed Matter
Journal title
Journal of physics. Condensed matter → ACNP
ISSN journal
09538984
Volume
5
Issue
50
Year of publication
1993
Pages
9327 - 9344
Database
ISI
SICI code
0953-8984(1993)5:50<9327:BOSOOO>2.0.ZU;2-G
Abstract
Some general relationships have been derived in terms of the unrestric ted Hartree-Fock method that define the conditions leading to the brea king of symmetry of one-electron orbitals at oxygen vacancies in oxide s of the perovskite family. Numerical calculations of the critical val ues of relevant parameters have been carried out. Experimental data ar e discussed in the light of the results obtained.