Role of matrix elements in the theoretical determination of generalized susceptibilities in metals

Raju P. Gupta*, Arthur J Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

29 Scopus citations

Abstract

The role of matrix elements in the calculation of the generalized susceptibilities χ(q→) of metals is discussed using the results of an augmented-plane-wave energy-band calculation for the eigenvalues and eigenfunctions of Sc metal. The inclusion of the oscillator strength matrix elements is found to significantly alter the structure obtained for χ(q→) in the constant-matrix-element approximation. The effect of local-field corrections on the phonon anomaly in Sc and the observed magnetic ordering of dilute rare-earth Sc alloys are described; in the latter case, a crude estimate of this effect is found to restore a (broad) peak in χ(q→) at q→[0,0,0.5(πc)], in good agreement with experiment.

Original languageEnglish (US)
Pages (from-to)4376-4386
Number of pages11
JournalPhysical Review B
Volume13
Issue number10
DOIs
StatePublished - Jan 1 1976

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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