Covalency versus overlap distortion in the mössbauer isomer shift

P. F. Walch*, Donald E Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

Charge-density differences Δρ opserved in Mössbauer isomer-shift (IS) experiments on metal atoms embedded in rare-gas matrices are studied in perturbed-atom and molecular-orbital models. Calculations performed for Fe57 in an argon matrix and a full variational treatment of FeAr12 clusters show that overlap distortion and covalent contributions to Δρ compete and nearly cancel. This result is seen to be general, and implications for free-atom models and IS pressure dependence are discussed.

Original languageEnglish (US)
Pages (from-to)903-907
Number of pages5
JournalPhysical Review B
Volume7
Issue number3
DOIs
StatePublished - Jan 1 1973

ASJC Scopus subject areas

  • Condensed Matter Physics

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