| First-principles calculations for thermodynamic properties of perovskite-type superconductor MgCNi(3) | |
| W. Zhang; Z. Li; X. R. Chen; L. C. Cai; F. Q. Jing | |
| 2008 | |
| Source Publication | Chinese Physics Letters
 |
| ISSN | 0256-307X |
| Volume | 25Issue:7Pages:2603-2606 |
| Abstract | The ground state properties and equation of state of the non-oxide perovskite-type superconductor MgCNi(3) are investigated by first-principles calculations based on the plane-wave basis set with the local density approximation (LDA) as well as the generalized gradient approximation (GGA) for exchange and correlation, which agree well with both theoretical calculations and experiments. Some thermodynamic properties including the heat capacity, the thermal expansion coefficient and the Gruneisen parameter for perovskite structure MgCNi(3) are obtained. The dependences of these thermodynamic properties on pressure and temperature are given for the first time. |
| description.department | [zhang wei; li zhe; chen xiang-rong; jing fu-qian] sichuan univ, sch phys sci & technol, chengdu 610064, peoples r china. [chen xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [cai ling-cang; jing fu-qian] china acad engn phys, inst fluid phys, lab shock wave & detonat phys res, mianyang 621900, peoples r china.;chen, xr (reprint author), sichuan univ, sch phys sci & technol, chengdu 610064, peoples r china;xrchen@126.com |
| Keyword | Electronic-structure Molecular-dynamics |
| URL | 查看原文 |
| WOS ID | WOS:000257326000074 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/33341 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | W. Zhang,Z. Li,X. R. Chen,et al. First-principles calculations for thermodynamic properties of perovskite-type superconductor MgCNi(3)[J]. Chinese Physics Letters,2008,25(7):2603-2606. |
| APA | W. Zhang,Z. Li,X. R. Chen,L. C. Cai,&F. Q. Jing.(2008).First-principles calculations for thermodynamic properties of perovskite-type superconductor MgCNi(3).Chinese Physics Letters,25(7),2603-2606. |
| MLA | W. Zhang,et al."First-principles calculations for thermodynamic properties of perovskite-type superconductor MgCNi(3)".Chinese Physics Letters 25.7(2008):2603-2606. |
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