Temperature dependence of elastic properties of Ni(2+x)Mn(1-x)Ga and Ni(2)Mn(Ga(1-x)Al(x)) 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:17 |
| 关键词 | shape-memory alloys ni-mn-ga martensitic phase-transformation potential model heusler alloys ni2mnga alloy landau theory approximation transitions disorder |
| ISSN号 | 1098-0121 |
| 中文摘要 | The temperature dependence of the elastic properties of Ni(2+x)Mn(1-x)Ga and Ni(2)Mn(Ga(1-x)Al(x)) (x = 0.0, 0.1, and 0.2) random alloys are investigated by using the first-principles exact muffin-tin orbitals method. At 0 K, the calculated equilibrium parameters in both cubic L2(1) and nonmodulated tetragonal beta'''-Ni(2)MnGa are in good agreement with the available experimental data and other theoretical results. Separating the thermal effects into single electron excitation, volume expansion, phonon smearing, and magnetic terms, we find that phonon smearing gives the dominating positive tetragonal elastic constant (C') versus temperature (T) slope for the cubic phase. For Ni(2+x)Mn(1-x)Ga, the competition between the negative alloying effect (partial derivative C'/partial derivative x < 0) and the positive temperature effect (partial derivative C'/partial derivative T > 0) leads to nearly constant C'[x, T(M)(x)] at the martensitic transition temperature T(M)(x). For Ni(2)Mn(Ga(1-x)Al(x)), where both partial derivative C'/partial derivative x and partial derivative C'/partial derivative T are positive, however, due to the significantly decrease of T(M)(x), the critical C'[x, T(M)(x)] slightly decreases with Al doping. Furthermore, it is demonstrated that both the composition and the temperature dependence of C' are indispensable to get a reasonable theoretical T(M)(x). |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/30453]  |
| 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. Temperature dependence of elastic properties of Ni(2+x)Mn(1-x)Ga and Ni(2)Mn(Ga(1-x)Al(x)) from first principles[J]. Physical Review B,2011,84(17). |
| APA | C. M. Li,H. B. Luo,Q. M. Hu,R. Yang,B. Johansson,&L. Vitos.(2011).Temperature dependence of elastic properties of Ni(2+x)Mn(1-x)Ga and Ni(2)Mn(Ga(1-x)Al(x)) from first principles.Physical Review B,84(17). |
| MLA | C. M. Li,et al."Temperature dependence of elastic properties of Ni(2+x)Mn(1-x)Ga and Ni(2)Mn(Ga(1-x)Al(x)) from first principles".Physical Review B 84.17(2011). |
入库方式： OAI收割
来源：金属研究所
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