Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni2MnGa shape memory alloys from first principles
文献类型：期刊论文
| 作者 | Li, Chun-Mei1,2; Luo, Hu-Bin2; Hu, Qing-Miao1,2; Yang, Rui2; Johansson, Borje1,3,4,5; Vitos, Levente1,3,6 |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2011-07-11 |
| 卷号 | 84期号:2页码:10 |
| ISSN号 | 1098-0121 |
| DOI | 10.1103/PhysRevB.84.024206 |
| 通讯作者 | Li, Chun-Mei() |
| 英文摘要 | The site preference and elastic properties of Fe-, Co-, and Cu-doped Ni2MnGa alloys are investigated by using the first-principles exact muffin-tin orbital method in combination with coherent-potential approximation. It is shown that Fe atom prefers to occupy the Mn and Ni sublattices even in Ga-deficient alloys; Co has strong tendency to occupy the Ni sublattice in all types of alloys; Cu atoms always occupy the sublattice of the host elements in deficiency. For most of the alloys with stable site occupations, both the electron density n and the shear modulus C' can be considered as predictors of the composition dependence of the martensitic transition temperature T-M of the alloys. The physics underlying the composition-dependent C' are discussed based on the calculated density of states. |
| 资助项目 | Swedish Research Council ; Swedish Steel Producers' Association ; Carl Tryggers Foundation ; Goran Gustafsson Foundation ; Hungarian Scientific Research Fund[OTKA 84078] ; MoST of China[2011CB606404] ; NSFC[50871114] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000292599600002 |
| 出版者 | AMER PHYSICAL SOC |
| 资助机构 | Swedish Research Council ; Swedish Steel Producers' Association ; Carl Tryggers Foundation ; Goran Gustafsson Foundation ; Hungarian Scientific Research Fund ; MoST of China ; NSFC |
| 源URL | [http://ir.imr.ac.cn/handle/321006/103675]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Li, Chun-Mei |
| 作者单位 | 1.Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 3.Uppsala Univ, Condensed Matter Theory Grp, Dept Phys, SE-75120 Uppsala, Sweden 4.Dalian Univ Technol, Sch Phys & Optoelect Technol, Dalian 116024, Peoples R China 5.Dalian Univ Technol, Coll Adv Sci & Technol, Dalian 116024, Peoples R China 6.Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary |
| 推荐引用方式 GB/T 7714 | Li, Chun-Mei,Luo, Hu-Bin,Hu, Qing-Miao,et al. Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni2MnGa shape memory alloys from first principles[J]. PHYSICAL REVIEW B,2011,84(2):10. |
| APA | Li, Chun-Mei,Luo, Hu-Bin,Hu, Qing-Miao,Yang, Rui,Johansson, Borje,&Vitos, Levente.(2011).Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni2MnGa shape memory alloys from first principles.PHYSICAL REVIEW B,84(2),10. |
| MLA | Li, Chun-Mei,et al."Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni2MnGa shape memory alloys from first principles".PHYSICAL REVIEW B 84.2(2011):10. |
入库方式： OAI收割
来源：金属研究所
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