Theoretical investigation on the high-pressure structural transition and thermodynamic properties of cadmium oxide

IMR OpenIR

	Theoretical investigation on the high-pressure structural transition and thermodynamic properties of cadmium oxide
	C. Lu; X. Y. Kuang; S. J. Wang; Y. R. Zhao; X. M. Tan
	2010
发表期刊	Epl
ISSN	0295-5075
卷号	91 期号:1
摘要	A theoretical investigation on the structural and thermodynamic properties of CdO under high pressure is performed by employing the pseudopotential plane-wave method in the framework of the density functional theory. Some structural parameters of CdO in both B1 and B2 phases are reported. According to the third-order Birch-Murnaghan equation of states, the transition pressure P(t) of CdO from the B1 structure to the B2 structure is determined. The calculated results are found to be in good agreement with the available experimental data and theoretical values. Based on the quasi-harmonic Debye model, the Debye temperature of CdO under high pressure is derived from the average sound velocity. This is a quantitative theoretical prediction of the elastic and thermodynamic properties of CdO and it still awaits experimental confirmation. Copyright (C) EPLA, 2010
部门归属	[lu, cheng] nanyang normal univ, dept phys, nanyang 473061, peoples r china. [kuang, xiao-yu; wang, su-juan; zhao, ya-ru] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] acad sinice, int ctr mat phys, shenyang 110016, peoples r china. [tan, xiao-ming] ludong univ, dept phys, yantai 264025, peoples r china.;lu, c (reprint author), nanyang normal univ, dept phys, nanyang 473061, peoples r china;lucheng@nynu.edu.cn
关键词	Phase-transformation Cdo Compressibilities Temperature
URL	查看原文
WOS记录号	WOS:000282188800011
引用统计	被引频次：14[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/321006/31335
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	C. Lu,X. Y. Kuang,S. J. Wang,et al. Theoretical investigation on the high-pressure structural transition and thermodynamic properties of cadmium oxide[J]. Epl,2010,91(1).
APA	C. Lu,X. Y. Kuang,S. J. Wang,Y. R. Zhao,&X. M. Tan.(2010).Theoretical investigation on the high-pressure structural transition and thermodynamic properties of cadmium oxide.Epl,91(1).
MLA	C. Lu,et al."Theoretical investigation on the high-pressure structural transition and thermodynamic properties of cadmium oxide".Epl 91.1(2010).