Ab initio calculations of the physical properties of transition metal carbides and nitrides and possible routes to high-Tc
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 t...
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Main Authors | , , , , |
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Format | Journal Article |
Language | English |
Published |
30.11.2006
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Subjects | |
Online Access | Get full text |
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Summary: | 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 well agree with the experiment.
Factors accounting for the relatively low critical temperatures Tc in
transition metal compounds with light elements are considered and the possible
ways of increasing Tc are discussed. |
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DOI: | 10.48550/arxiv.cond-mat/0611782 |