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    题名: First-principle calculation on nearly half-metallic antiferromagnetic behavior of double perovskites La2VReO6
    作者: Chen, S.H.;Xiao, Zhi Ren;Liu, Y.P.;Lee, P.H.;Wang, Y.K.
    蕭智仁
    贡献者: 應用物理研究所
    关键词: AFM;Antiferromagnetic behaviors;Antiferromagnets;Double exchange;Double perovskites;First principle calculations;Generalized gradient approximations;GGAU;Half metals;Half-metallic;Spin-orbital coupling;Superexchanges;Antiferromagnetic materials;Antiferromagnetism;Atomic force microscopy;Transition metals;Strontium compounds
    日期: 2011-01
    上传时间: 2015-06-23 15:49:05 (UTC+8)
    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. © 2010 Elsevier B.V. All rights reserved.
    關聯: Journal of Magnetism and Magnetic Materials, 323(1), 176-179
    数据类型: article
    DOI 連結: http://dx.doi.org/10.1016/j.jmmm.2010.08.059
    DOI: 10.1016/j.jmmm.2010.08.059
    显示于类别:[應用物理研究所 ] 期刊論文

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