First-principle calculation on nearly half-metallic antiferromagnetic behavior of double perovskites La 2 VReO 6

S. H. Chen, Z. R. Xiao, Y. P. Liu, P. H. Lee, Yin-Kuo Wang

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

While it was recently found that La 2 VTcO 6 and La 2 VCuO 6 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). La 2 VReO 6 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 1

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perovskites
Transition metals
transition metals
Coulomb interactions
gradients
approximation
interactions

Keywords

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

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

First-principle calculation on nearly half-metallic antiferromagnetic behavior of double perovskites La 2 VReO 6 . / Chen, S. H.; Xiao, Z. R.; Liu, Y. P.; Lee, P. H.; Wang, Yin-Kuo.

In: Journal of Magnetism and Magnetic Materials, Vol. 323, No. 1, 01.01.2011, p. 175-178.

Research output: Contribution to journalArticle

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