Electronic structure and bonding configuration of the H-phases Ti2MC and Ti2MN (M = Al, Ga, In)

Authors
Ivanovskii, AL Sabiryanov, RF Skazkin, AN Zhukovskii, VM Shveikin, GP
Citation
Al. Ivanovskii et al., Electronic structure and bonding configuration of the H-phases Ti2MC and Ti2MN (M = Al, Ga, In), INORG MATER, 36(1), 2000, pp. 28-31
Citations number
8
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
INORGANIC MATERIALS
ISSN journal
00201685 → ACNP
Volume
36
Issue
1
Year of publication
2000
Pages
28 - 31
Database
ISI
SICI code
0020-1685(200001)36:1<28:ESABCO>2.0.ZU;2-4
Abstract
The electronic structure of the H-phases Ti2MC and Ti2MN (M = Al, Ga, In) i s calculated by the self-consistent linearized muffin-tin-orbital method in the atomic-sphere approximation and the MO LCAO method using RMH parametri zation. The band structure and bonding configuration of the H-phases are co mpared with those of other Ti-M-C and Ti-M-N phases.