Assessment of theoretical determinations of the electron-phonon coupling parameter in metals and intermetallic compounds

H. B. Radousky*, T. Jarlborg, G. S. Knapp, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

17 Scopus citations

Abstract

The electron-phonon coupling parameter e-ph, while playing a centrally important role in superconductivity and other phenomena, is still a difficult quantity to determine from first-principles theory. The availability of accurate ab initio self-consistent energy-band calculations of partial and total density of states (DOS) allows to be determined from the electronic specific heat or from simple theoretical treatments such as the rigid-ion approximation. We have assessed the accuracy of these determinations (and the band-structure results) in a number of transition metals and A15 and C15 intermetallic compounds. We include comparisons with results obtained with the use of the McMillan-equation parametrization of Tc along with experimental results from tunneling measurements, NMR, and comparisons of high- and low-T specific-heat data. The results of these comparisons show that for many of the high-DOS materials, serious discrepancies exist between the theoretical and experimental determinations. The role of spin fluctuations and lattice transformations is discussed in connection with these results.

Original languageEnglish (US)
Pages (from-to)1208-1222
Number of pages15
JournalPhysical Review B
Volume26
Issue number3
DOIs
StatePublished - 1982

ASJC Scopus subject areas

  • Condensed Matter Physics

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