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

被引:454
作者
Savrasov, SY [1 ]
Savrasov, DY [1 ]
机构
[1] PN LEBEDEV PHYS INST,MOSCOW 117924,RUSSIA
来源
PHYSICAL REVIEW B | 1996年 / 54卷 / 23期
关键词
D O I
10.1103/PhysRevB.54.16487
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Spectral distribution functions of electron-phonon interaction alpha(2)F(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(2)F(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 X. 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%.
引用
收藏
页码:16487 / 16501
页数:15
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