The electronic structure of the H-phases Ti2MC and Ti2MN (M = Al, Ga, In) is calculated by the self-consistent linearized muffin-tin-orbital method in the atomic-sphere approximation and the MO LCAO method using RMH parametrization. The band structure and bonding configuration of the H-phases are compared with those of other Ti-M-C and Ti-M-N phases.
ASJC Scopus subject areas
- Chemical Engineering(all)
- Inorganic Chemistry
- Metals and Alloys
- Materials Chemistry
Electronic structure and bonding configuration of the H-phases Ti2MC and Ti2MN (M = Al, Ga, In). / Ivanovskii, A. L.; Sabiryanov, R. F.; Skazkin, A. N.; Zhukovskii, V. M.; Shveikin, G. P.In: Inorganic Materials, Vol. 36, No. 1, 01.01.2000, p. 28-31.
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