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政大機構典藏 > 理學院 > 應用物理研究所 > 期刊論文 > Item 140.119/76100

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題名:	Investigation of possible half-metallic antiferromagnets on double perovskites LaAB B′ O6 (A=Ca,Sr,Ba;B, B′ =transition elements)
作者:	Chen, S.H.;Xiao, Zhi Ren;Liu, Y.P.;Wang, Y.K. 蕭智仁
貢獻者:	應物所
關鍵詞:	AFM;Antiferromagnets;Double perovskites;Half-metallic;Transition element;Antiferromagnetic materials;Barium;Calcium;Strontium compounds;Structural design;Structural optimization;Transition metals;Strontium
日期:	2010-11
上傳時間:	2015-06-29 17:21:39 (UTC+8)
摘要:	We thoroughly investigated all the possible (C2 29 =406) candidates of half-metallic (HM) antiferromagnet (AFM) with the structure LaSrB B′ O6, where B B′ pairs are any combination of two 3d, 4d, and 5d transition elements. Sr was also replaced by Ca or Ba whenever HM-AFM was found and similar calculation was performed in order to probe more possibilities. We have found that LaAWX O6, where A=Ca,Sr,Ba and X=Tc,Re are potential candidates of HM-AFM. Among those HM-AFM candidates, LaA WReO6 (A=Sr,Ba) are rather robust than others for the structural optimization. Including previous Wang and Guo`s work in 2006 and this work, we believe that we have found all possible HM-AFM candidates for double perovskites structure LaAB B′ O6 (A=Ca,Sr,Ba and B, B′ =transition elements). © 2010 American Institute of Physics.
關聯:	Journal of Applied Physics, 108(9), 論文編號 093908
資料類型:	article
DOI 連結:	http://dx.doi.org/10.1063/1.3488642
DOI:	10.1063/1.3488642
顯示於類別:	[應用物理研究所 ] 期刊論文

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