First principles investigations on the half metallic properties of Sr(2)MOsO(6) (M = V, Mn, Fe, Co)
文献类型：期刊论文
| 作者 | Wang J ; Meng JA ; Wu ZJ |
| 刊名 | chemical physics letters
 |
| 出版日期 | 2011 |
| 卷号 | 501期号:4-6页码:324-329 |
| 关键词 | MAGNETIC-PROPERTIES ANTIFERROMAGNETS SEARCH |
| ISSN号 | 0009-2614 |
| 通讯作者 | wu zj |
| 中文摘要 | the electronic and magnetic properties of sr(2)moso(6) (m = v, mn, fe, co) have been studied by first principles calculations. three structures are considered for each compound, i.e., cubic fm-3m, tetragonal i4/m and monoclinic p2(1)/n. for m = v, co, monoclinic p2(1)/n is favored, while tetragonal i4/m is favored for m = mn, fe. sr(2)voso(6) and sr(2)cooso(6) are viable candidates of half metal, in particular sr(2)cooso(6). sr(2)mnoso(6) is metallic, while sr(2)feoso(6) is a semiconductor. the transition metals mn(3+), fe(3+) and co(2+) are in high spin states. (c) 2010 elsevier b.v. all rights reserved. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| 公开日期 | 2012-06-11 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/44891]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang J,Meng JA,Wu ZJ. First principles investigations on the half metallic properties of Sr(2)MOsO(6) (M = V, Mn, Fe, Co)[J]. chemical physics letters,2011,501(4-6):324-329. |
| APA | Wang J,Meng JA,&Wu ZJ.(2011).First principles investigations on the half metallic properties of Sr(2)MOsO(6) (M = V, Mn, Fe, Co).chemical physics letters,501(4-6),324-329. |
| MLA | Wang J,et al."First principles investigations on the half metallic properties of Sr(2)MOsO(6) (M = V, Mn, Fe, Co)".chemical physics letters 501.4-6(2011):324-329. |
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来源：长春应用化学研究所
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