Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi3 (M = Zn, Cd)

IMR OpenIR

	Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi3 (M = Zn, Cd)
	Duan, M. Y.1; Tan, J. J.1; Ji, G. F.2; Chen, X.-R.1,3; Zhu, J.1
通讯作者	Chen, X.-R.(x.r.chen@tom.com)
	2010-10-01
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 ZnCNi3 and CdCNi3 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 ZnCNi3 and CdCNi3 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 ZnCNi3 and CdCNi3 are also obtained successfully.
资助者	National Natural Science Foundation of China ; Specialized Research Fund for the Doctoral Program of Higher Education
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[10776022] ; Specialized Research Fund for the Doctoral Program of Higher Education[20090181110080]
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000283684300023
出版者	POLISH ACAD SCIENCES INST PHYSICS
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/101574
专题	中国科学院金属研究所
通讯作者	Chen, X.-R.
作者单位	1.Sichuan Univ, Coll Phys Sci & Technol, Chengdu 610064, Peoples R China 2.China Acad Engn Phys, Inst Fluid Phys, Lab Shock Wave & Detonat Phys Res, Mianyang 621900, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Duan, M. Y.,Tan, J. J.,Ji, G. F.,et al. Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi3 (M = Zn, Cd)[J]. ACTA PHYSICA POLONICA A,2010,118(4):652-658.
APA	Duan, M. Y.,Tan, J. J.,Ji, G. F.,Chen, X.-R.,&Zhu, J..(2010).Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi3 (M = Zn, Cd).ACTA PHYSICA POLONICA A,118(4),652-658.
MLA	Duan, M. Y.,et al."Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi3 (M = Zn, Cd)".ACTA PHYSICA POLONICA A 118.4(2010):652-658.