First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule
文献类型：期刊论文
| 作者 | Zhang, XM ; Dai, XF ; Chen, GF ; Liu, HY ; Luo, HZ ; Li, Y ; Wang, WH ; Wu, GH ; Liu, GD |
| 刊名 | COMPUTATIONAL MATERIALS SCIENCE
 |
| 出版日期 | 2012 |
| 卷号 | 59页码:1 |
| 关键词 | HALF-METALLIC FERROMAGNETS MAGNETIC-PROPERTIES BAND-STRUCTURE ALLOYS PREDICTION MOMENT AL SI TI |
| ISSN号 | 0927-0256 |
| 通讯作者 | Liu, GD: Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China. |
| 中文摘要 | We studied the electronic structure and magnetic properties of Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) by the first-principle calculations. We achieved three half-metallic ferrimagnets (HMFIs) in equilibrium lattice constants and one in a proper lattice distortion. The relationship between their Mt (the molecular magnetic moment) and Z(t) (the valence concentration) was investigated. It was found that the relationship do not agree with the Slater-Pauling rule. A discussion to Slater-Pauling rule was carried out and an extension form of Slater-Pauling rule for half-metallic Heusler compounds was given. (C) 2012 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [50901027, 50701015]; 100 Excellent Innovative Talents Programme of Hebei Province; Hebei Province Foundation for Returness |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/38222]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhang, XM,Dai, XF,Chen, GF,et al. First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule[J]. COMPUTATIONAL MATERIALS SCIENCE,2012,59:1. |
| APA | Zhang, XM.,Dai, XF.,Chen, GF.,Liu, HY.,Luo, HZ.,...&Liu, GD.(2012).First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule.COMPUTATIONAL MATERIALS SCIENCE,59,1. |
| MLA | Zhang, XM,et al."First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule".COMPUTATIONAL MATERIALS SCIENCE 59(2012):1. |
入库方式： OAI收割
来源：物理研究所
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