Mössbauer spectroscopy of Fe in the compounds R C (R=Y, Gd, Tb, Dy, Ho, Er):ffTheory and experiment

Z. Zeng, D. Sánchez, Diana Guenzburger, D. Ellis

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

(Formula presented) Fe Mössbauer spectroscopy measurements were performed for the Fe impurities in the substituted compounds R((Formula presented) C (R=Y, Gd, Tb, Dy, Ho, Er). Isomer shifts and quadrupole splittings were obtained; the latter were seen to correlate to the ratio c/a of the lattice constants. Isomer shifts show very similar values for compounds with different rare earths. First-principles density-functional calculations for 71-atom embedded clusters representing the compounds were performed. Quadrupole splittings at the Fe site were obtained from the calculations, and the origin of the trend observed was elucidated.

Original languageEnglish (US)
Pages (from-to)3087-3092
Number of pages6
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume55
Issue number5
DOIs
StatePublished - Jan 1 1997

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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