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
相关论文
共 65 条
[1]   TRANSITION-TEMPERATURE OF STRONG-COUPLED SUPERCONDUCTORS REANALYZED [J].
ALLEN, PB ;
DYNES, RC .
PHYSICAL REVIEW B, 1975, 12 (03) :905-922
[2]   NEUTRON SPECTROSCOPY OF SUPERCONDUCTORS [J].
ALLEN, PB .
PHYSICAL REVIEW B, 1972, 6 (07) :2577-&
[3]   A TETRAHEDRON METHOD FOR DOUBLY CONSTRAINED BRILLOUIN-ZONE INTEGRALS - APPLICATION TO SILICON OPTIC PHONON DECAY [J].
ALLEN, PB .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1983, 120 (02) :529-538
[4]   ELECTRON-PHONON EFFECTS IN INFRARED PROPERTIES OF METALS [J].
ALLEN, PB .
PHYSICAL REVIEW B, 1971, 3 (02) :305-&
[5]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[6]  
[Anonymous], 1981, ELECTRON PHONON INTE
[7]   RESOLUTION OF CONTROVERSY ON TUNNELING IN NB [J].
ARNOLD, GB ;
ZASADZINSKI, J ;
WOLF, EL .
PHYSICS LETTERS A, 1978, 69 (02) :136-138
[8]   THEORY OF HIGH-PRESSURE PHASES OF HYDROGEN [J].
BARBEE, TW ;
GARCIA, A ;
COHEN, ML ;
MARTINS, JL .
PHYSICAL REVIEW LETTERS, 1989, 62 (10) :1150-1153
[9]   GREEN-FUNCTION APPROACH TO LINEAR RESPONSE IN SOLIDS [J].
BARONI, S ;
GIANNOZZI, P ;
TESTA, A .
PHYSICAL REVIEW LETTERS, 1987, 58 (18) :1861-1864
[10]   IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS [J].
BLOCHL, PE ;
JEPSEN, O ;
ANDERSEN, OK .
PHYSICAL REVIEW B, 1994, 49 (23) :16223-16233