{\it AB INITIO} CALCULATIONS OF THE PHYSICAL PROPERTIES OF TRANSITION METAL CARBIDES AND NITRIDES AND POSSIBLE ROUTES TO HIGH-T_c SUPERCONDUCTIVITY
Maksimov E.G., Ebert S.V., Magnitskaya M.V., Karakozov A.E.

Поступила в редакцию: 6 Марта 2007

PACS: 74.70.Ad, 63.20.Dj, 63.20.Kr

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Ab initio linear-response calculations are reported of the phonon spectra and the electron-phonon interaction for several transition metal carbides and nitrides in a NaCl-type structure. For NbC, the kinetic, optical, and superconducting properties are calculated in detail at various pressures and the normal-pressure results are found to agree well with the experiment. Factors accounting for the relatively low critical temperatures T_c in transition metal compounds with light elements are considered and the possible ways of increasing T_c are discussed.