Electron-phonon interactions and related physical properties of metals from linear-response theory.

Savrasov S.Y., Savrasov D.Y.

Max-Planck-Institut für Festkörperforschung, Heisenbergstr.1, D--70569 Stuttgart, Germany;
P. N. Lebedev Physical Institute, Leninskii pr.53, 117924 Moscow, Russia

Spectral distribution functions of electron-phonon interaction alpha 2F( omega ) obtained by ab initio linear-response calculations are used to describe various superconducting and transport properties in a number of elemental metals such as Al, Cu, Mo, Nb, Pb, Pd, Ta, and V. Their lattice dynamics and self-consistently screened electron-phonon coupling are evaluated within local density functional theory and using a linear-muffin-tin-orbital basis set. We compare our theoretical alpha 2F( omega ) with those deduced from the tunneling measurements and find a close agreement between them. Temperature-dependent electrical and thermal resistivities as well as transport constants lambda tr also agree well with the experimental data. The values of lambda tr are close to the electron-phonon coupling parameter lambda . For the latter a very good agreement with specific-heat measurements was found without any paramagnon contribution, except in Pd. We conclude that our method provides the description of electron-phonon interactions in tested materials with an accuracy of 10%.

Physical Review B, 54 16487-501, 1996.

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