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Ab initio calculations of the physical properties of transition metal carbides and nitrides and possible routes to high-T c superconductivity

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Abstract

We report ab initio linear-response calculations 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.

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Authors and Affiliations

  1. Lebedev Physics Institute, Moscow, 119991, Russia

    E. G. Maksimov & S. V. Ebert

  2. Vereshchagin Institute for High Pressure Physics, Troitsk, Moscow oblast, 142190, Russia

    M. V. Magnitskaya & A. E. Karakozov

Authors
  1. E. G. Maksimov
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  2. S. V. Ebert
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  3. M. V. Magnitskaya
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  4. A. E. Karakozov
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Correspondence to E. G. Maksimov.

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Maksimov, E.G., Ebert, S.V., Magnitskaya, M.V. et al. Ab initio calculations of the physical properties of transition metal carbides and nitrides and possible routes to high-T c superconductivity. J. Exp. Theor. Phys. 105, 642–651 (2007). https://doi.org/10.1134/S1063776107090221

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  • DOI: https://doi.org/10.1134/S1063776107090221

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