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Investigation of the electronic structure of cubic Mo x Ti 1− x C y carbide alloys
Author(s) -
Krainik V. V.,
Lisenko A. A.,
Ivashchenko V. I.,
Bekenev V. L.
Publication year - 1996
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221940214
Subject(s) - carbide , materials science , linear combination of atomic orbitals , titanium carbide , electronic structure , crystallography , condensed matter physics , metallurgy , atomic orbital , chemistry , physics , electron , quantum mechanics
The electronic structure of Mo x Ti 1− x C y carbide alloys is calculated by means of the APW‐LCAO‐CPA method. On the basis of the electronic spectra a study both of the generalized susceptibility function and of the topology of the Fermi surface is carried out. It is found that stable Mo x Ti 1− x C y cubic carbide alloys can be formed only at sufficiently great amount of Ti atoms ( x ≦ 0.2). Stabilization of cubic MoC can be also achieved by replacing a small amount of Mo atoms by Ti atoms together with the formation of carbon vacancies.