Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi(3) (M = Zn, Cd)

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	Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi(3) (M = Zn, Cd)
	M. Y. Duan; J. J. Tan; G. F. Ji; X. R. Chen; J. Zhu
	2010
发表期刊	Acta Physica Polonica A
ISSN	0587-4246
卷号	118 期号:4 页码:652-658
摘要	The elastic and thermodynamic properties of the anti-perovskite superconductor ZnCNi(3) and CdCNi(3) are investigated by first-principles calculations. With the local density approximation as well as the generalized gradient approximation for exchange and correlation, the ground state properties and equation of state are obtained, which agree well with other theoretical calculations and experiments. Furthermore, by the elastic stability criteria, we predict that ZnCNi(3) and CdCNi(3) are not stable above 98.1 GPa and 196.5 GPa, respectively. The dependences of the heat capacity, thermal expansion coefficient, the Gruneisen parameter and bulk modulus (B(T) and B(S)) on pressure and temperature for ZnCNi(3) and CdCNi(3) are also obtained successfully.
部门归属	[duan, m. y.; tan, j. j.; chen, x.-r.; zhu, j.] sichuan univ, coll phys sci & technol, chengdu 610064, peoples r china. [ji, g. f.] china acad engn phys, inst fluid phys, lab shock wave & detonat phys res, mianyang 621900, peoples r china. [chen, x.-r.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;chen, xr (reprint author), sichuan univ, coll phys sci & technol, chengdu 610064, peoples r china;x.r.chen@tom.com
关键词	Electronic-properties Mgcni3 Constants 1st-principles Temperature Pressure Crystals Cdcni3
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31086
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	M. Y. Duan,J. J. Tan,G. F. Ji,et al. Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi(3) (M = Zn, Cd)[J]. Acta Physica Polonica A,2010,118(4):652-658.
APA	M. Y. Duan,J. J. Tan,G. F. Ji,X. R. Chen,&J. Zhu.(2010).Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi(3) (M = Zn, Cd).Acta Physica Polonica A,118(4),652-658.
MLA	M. Y. Duan,et al."Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi(3) (M = Zn, Cd)".Acta Physica Polonica A 118.4(2010):652-658.