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Electron—Phonon Interaction in Transition Metals. Results of Relativistic APW Band Structure Calculations
Author(s) -
John W.,
Nemoshkalenko V. V.,
Antonov V. N.,
Antonov Vl. N.
Publication year - 1984
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221210125
Subject(s) - condensed matter physics , electronic band structure , electron , phonon , coupling (piping) , tin , physics , relativistic quantum chemistry , coupling parameter , phase transition , transition metal , electronic structure , atomic physics , chemistry , materials science , quantum mechanics , biochemistry , metallurgy , catalysis , organic chemistry
The Hopfield parameter η of the electron—phonon coupling is calculated for twelve transition metals (Rh, Pd, Ag, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au) in the rigid muffin‐tin approximation. Using relativistic APW band structure data and a generalized Gaspari‐Gyorffy formula the influence of relativistic effects is completely taken into account. It is found that η may be calculated in remarkably good approximation using spin‐weighted averages of phase shifts and density matrix coefficients. The theoretical results for the electron—phonon parameter λ and the electronic specific heat are compared with the experimental data.