Physical and electronic structure and magnetism of Mn2NiGa: Experiment and density-functional theory calculations
文献类型：期刊论文
| 作者 | Liu, GD ; Dai, XF ; Yu, SY ; Zhu, ZY ; Chen, JL ; Wu, GH ; Zhu, H ; Xiao, JQ |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2006 |
| 卷号 | 74期号:5 |
| 关键词 | NI-MN-GA FIELD-INDUCED STRAINS SHAPE-MEMORY ALLOY HEUSLER ALLOYS PHASE-TRANSITIONS CRYSTAL-STRUCTURE SYSTEM TEMPERATURE SURFACES METALS |
| ISSN号 | 1098-0121 |
| 通讯作者 | Liu, GD (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China. |
| 中文摘要 | Both experimental and theoretical studies have been carried out to study the structure and magnetic properties of Mn2NiGa alloys. We have found, instead of forming L2(1) structure where both A and C sites are occupied by Mn atoms, the alloy favor a structure where the C site is occupied by Ni atoms and Mn atoms at A and B sites. The electronic structures of both cubic austenite and tetragonal martensite Mn2NiGa were calculated by self-consistent full-potential linearized-augmented plane-wave (FP-LAPW) method. Austenite Mn2NiGa materials show ferrimagnetism due to antiparallel but unbalanced magnetic moments of Mn atoms at A and B sublattices. The magnetic moment of Mn atoms decrease greatly upon martensitic transformation to a tetragonal structure with a 50% reduction in Mn moments at the A site and almost completely suppressed Mn moments at B sites. Consequently, martensite Mn2NiGa alloys show ferromagnetic coupling. Different magnetic orderings in martensite and austenite also lead to very different temperature dependence, with which the abnormal behavior of magnetization upon martensitic transformation can be understood. In the off-stoichiometric samples with composition between Ni2MnGa and Mn2NiGa, we show that additional Mn atoms that substitute for Ni atoms in Ni2MnGa have the same magnetic behaviors as Mn in Mn2NiGa phase, which successfully explains the dependence of the magnetization on Mn composition. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/51006]  |
| 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 | Liu, GD,Dai, XF,Yu, SY,et al. Physical and electronic structure and magnetism of Mn2NiGa: Experiment and density-functional theory calculations[J]. PHYSICAL REVIEW B,2006,74(5). |
| APA | Liu, GD.,Dai, XF.,Yu, SY.,Zhu, ZY.,Chen, JL.,...&Xiao, JQ.(2006).Physical and electronic structure and magnetism of Mn2NiGa: Experiment and density-functional theory calculations.PHYSICAL REVIEW B,74(5). |
| MLA | Liu, GD,et al."Physical and electronic structure and magnetism of Mn2NiGa: Experiment and density-functional theory calculations".PHYSICAL REVIEW B 74.5(2006). |
入库方式： OAI收割
来源：物理研究所
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