Slater-Pauling behavior and half-metallicity in Heusler alloys Mn(2)CuZ (Z = Ge and Sb)
文献类型：期刊论文
| 作者 | Luo, HZ ; Liu, GD ; Meng, FB ; Wang, LL ; Liu, EK ; Wu, GH ; Zhu, XX ; Jiang, CB |
| 刊名 | COMPUTATIONAL MATERIALS SCIENCE
 |
| 出版日期 | 2011 |
| 卷号 | 50期号:11页码:3119 |
| 关键词 | ELECTRONIC-STRUCTURE MAGNETIC-PROPERTIES 1ST PRINCIPLES FERRIMAGNETISM 1ST-PRINCIPLES PREDICTION GA AL SI |
| ISSN号 | 0927-0256 |
| 通讯作者 | Luo, HZ (reprint author), Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China. |
| 中文摘要 | The Slater-Pauling behavior and half-metallic properties of full-Heusler alloys Mn(2)CuZ (Z =Ge and Sb) have been studied by first-principles calculations. It is found that the total spin moment (Me) and the number of valence electrons (Z(t)) follow a Slater-Pauling rule of M-t = Z(t) - 28 rather than M-t = Z(t) - 24 in normal Heusler alloys. Mn2CuSb is predicted to be a half-metal at equilibrium lattice constant and Mn2CuGe is also half-metallic with a small expansion of the lattice. Mn2CuGe and Mn2CuSb are both ferrimagnets with total spin moment of +0.97 mu(B)/f.u. and +2.00 mu(B)/f.u., respectively. Considering Mn2CuGe and Mn2CuSb have 29 and 30 valence electrons, the S-P curve of Mt = Zr - 28 works quite well. This different S-P rule is strongly related to the low-lying Cu states and the weak hybridization between the d states of Cu and Mn. (C) 2011 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [50971055, 50901028] |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/52691]  |
| 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 | Luo, HZ,Liu, GD,Meng, FB,et al. Slater-Pauling behavior and half-metallicity in Heusler alloys Mn(2)CuZ (Z = Ge and Sb)[J]. COMPUTATIONAL MATERIALS SCIENCE,2011,50(11):3119. |
| APA | Luo, HZ.,Liu, GD.,Meng, FB.,Wang, LL.,Liu, EK.,...&Jiang, CB.(2011).Slater-Pauling behavior and half-metallicity in Heusler alloys Mn(2)CuZ (Z = Ge and Sb).COMPUTATIONAL MATERIALS SCIENCE,50(11),3119. |
| MLA | Luo, HZ,et al."Slater-Pauling behavior and half-metallicity in Heusler alloys Mn(2)CuZ (Z = Ge and Sb)".COMPUTATIONAL MATERIALS SCIENCE 50.11(2011):3119. |
入库方式： OAI收割
来源：物理研究所
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