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

研究成果: 雜誌貢獻期刊論文同行評審

7 引文 斯高帕斯(Scopus)

摘要

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.

原文英語
頁(從 - 到)175-178
頁數4
期刊Journal of Magnetism and Magnetic Materials
323
發行號1
DOIs
出版狀態已發佈 - 2011 一月

ASJC Scopus subject areas

  • 電子、光磁材料
  • 凝聚態物理學

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