Fully relativistic calculations of the effect of pressure on the magnetism of EuCo2P2

Diana Guenzburger*, Donald E Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

Self-consistent moment-polarized four-component relativistic electronic structure calculations were performed for embedded clusters representing the layered compound EuCo2P2 of ThCr2Si2-type structure, with lattice parameters a and c corresponding to ambient pressure and to pressure equal to 3.5 GPa. The relativistic discrete variational method in density functional theory was employed. It was found that the Eu sublattice moments, which order antiferromagnetically at ambient pressure, are supressed at high pressures; inversely, magnetism appears in the Co layer. However, only a small change with pressure in the charge of Eu, from + 2.0 to + 2.2, was derived from the calculations.

Original languageEnglish (US)
Pages (from-to)1111-1112
Number of pages2
JournalJournal of Magnetism and Magnetic Materials
Volume226-230
Issue numberPART II
DOIs
StatePublished - Jan 1 2001

Keywords

  • Density-functional theory
  • Magnetic moments - Calculated
  • Rare-earth compounds

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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