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 journalArticlepeer-review

    6 Citations (Scopus)

    Abstract

    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
    Volume323
    Issue number1
    DOIs
    Publication statusPublished - 2011 Jan

    Keywords

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

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Condensed Matter Physics

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