Interatomic interactions and electronic structure of hexagonal magnesium, aluminum, and silicon diborides: Ab initio full-potential LMTO calculations

Authors
Ivanovskii, AL Medvedeva, NI
Citation
Al. Ivanovskii et Ni. Medvedeva, Interatomic interactions and electronic structure of hexagonal magnesium, aluminum, and silicon diborides: Ab initio full-potential LMTO calculations, RUSS J IN C, 45(8), 2000, pp. 1234-1240
Citations number
27
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
ISSN journal
00360236 → ACNP
Volume
45
Issue
8
Year of publication
2000
Pages
1234 - 1240
Database
ISI
SICI code
0036-0236(200008)45:8<1234:IIAESO>2.0.ZU;2-I
Abstract
The band structure and the nature of interatomic interactions for D-6h(1)-M gB2, AlB2, and hypothetical hexagonal silicon diboride were studied by the ab initio self-consistent full-potential LMTO method. The comparison betwee n electronic properties of these compounds and those of the isostructural d iboride TiB2 was made.