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

Raju P. Gupta, Arthur J Freeman

Research output: Contribution to journalArticle

28 Citations (Scopus)

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
Pages (from-to)4376-4386
Number of pages11
JournalPhysical Review B
Volume13
Issue number10
DOIs
Publication statusPublished - 1976

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Metals
magnetic permeability
Chemical elements
matrices
Rare earth alloys
metals
rare earth alloys
Eigenvalues and eigenfunctions
oscillator strengths
Band structure
energy bands
Magnetization
eigenvectors
plane waves
eigenvalues
inclusions
anomalies
estimates
approximation
Experiments

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Role of matrix elements in the theoretical determination of generalized susceptibilities in metals. / Gupta, Raju P.; Freeman, Arthur J.

In: Physical Review B, Vol. 13, No. 10, 1976, p. 4376-4386.

Research output: Contribution to journalArticle

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