First-principle calculation on nearly half-metallic antiferromagnetic behavior of double perovskites La2VReO6

S. H. Chen, Z. R. Xiao, Y. P. Liu, P. H. Lee, Y. K. Wang

Research output: Contribution to journalArticle

6 Citations (Scopus)


While it was recently found that La2VTcO6 and La 2VCuO6 are promising candidates for half-metallic antiferromagnets (HM-AFM), the search continues for other potential candidates of HM-AFM in the double perovskites structure La2BB′O6 (B, B′=transition metal). La2VReO6 is found to be a nearly HM-AFM. Furthermore, considering correlation and spinorbital coupling (SOC) effects in transition metals, it is still nearly a HM-AFM after generalized gradient approximation with correction of on-site Coulomb interaction and SOC calculations, as reported herein.

Original languageEnglish
Pages (from-to)175-178
Number of pages4
JournalJournal of Magnetism and Magnetic Materials
Issue number1
Publication statusPublished - 2011 Jan



  • GGAU
  • Generalized double exchange
  • Half-metal antiferromagnet
  • Superexchange

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this