Origin and orientation of the electric field gradient in ordered FeNi

Diana Guenzburger*, D. E. Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

The electronic structure of tetrataenite, the ordered phase of FeNi, has been studied in the molecular cluster approximation using local-density theory. Clusters containing 13 and 19 atoms were embedded in the fcc host lattice, and spin-unrestricted potentials were iterated to self-consistency. Local moments, magnetic hyperfine fields, and electric field gradients (EFG) at the iron sites were determined for comparison with experiment. The orientation of the EFG principal axis is found to be parallel to the superstructure c axis.

Original languageEnglish (US)
Pages (from-to)6971-6975
Number of pages5
JournalPhysical Review B
Volume36
Issue number13
DOIs
StatePublished - 1987

ASJC Scopus subject areas

  • Condensed Matter Physics

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