| 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 | |
| Source Publication | Epl
 |
| ISSN | 0295-5075 |
| Volume | 91Issue:1 |
| Abstract | 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 |
| description.department | [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 |
| Keyword | Phase-transformation Cdo Compressibilities Temperature |
| URL | 查看原文 |
| WOS ID | WOS:000282188800011 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/31335 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation 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). |
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