Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni(2)MnGa shape memory alloys from first principles
文献类型：期刊论文
| 作者 | C. M. Li ; H. B. Luo ; Q. M. Hu ; R. Yang ; B. Johansson ; L. Vitos |
| 刊名 | Physical Review B
 |
| 出版日期 | 2011 |
| 卷号 | 84期号:2 |
| 关键词 | ni-mn-ga magnetic-properties martensitic-transformation heusler alloys ab-initio phase-transformation potential model landau theory approximation indium |
| ISSN号 | 1098-0121 |
| 中文摘要 | The site preference and elastic properties of Fe-, Co-, and Cu-doped Ni(2)MnGa 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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/30454]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | C. M. Li,H. B. Luo,Q. M. Hu,et al. Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni(2)MnGa shape memory alloys from first principles[J]. Physical Review B,2011,84(2). |
| APA | C. M. Li,H. B. Luo,Q. M. Hu,R. Yang,B. Johansson,&L. Vitos.(2011).Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni(2)MnGa shape memory alloys from first principles.Physical Review B,84(2). |
| MLA | C. M. Li,et al."Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni(2)MnGa shape memory alloys from first principles".Physical Review B 84.2(2011). |
入库方式： OAI收割
来源：金属研究所
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