Electronic structure of high-temperature ZrOCz

Authors
Ivanovskii, AL Okatov, SV Shveikin, GP
Citation
Al. Ivanovskii et al., Electronic structure of high-temperature ZrOCz, INORG MATER, 36(11), 2000, pp. 1121-1124
Citations number
16
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
INORGANIC MATERIALS
ISSN journal
00201685 → ACNP
Volume
36
Issue
11
Year of publication
2000
Pages
1121 - 1124
Database
ISI
SICI code
0020-1685(200011)36:11<1121:ESOHZ>2.0.ZU;2-3
Abstract
Semiempirical band-structure calculations are used to examine the electroni c structure and bonding configuration of metastable fluorite phases ZrO2Cz containing interstitial carbon or substitutional carbon and zirconium vacan cies. The results are used to analyze the existing models for the solid-sta te transformations involved in the carbon reduction of oxides.