Theoretical investigation on the high-pressure structural transition and thermodynamic properties of cadmium oxide
文献类型：期刊论文
| 作者 | C. Lu ; X. Y. Kuang ; S. J. Wang ; Y. R. Zhao ; X. M. Tan |
| 刊名 | Epl
 |
| 出版日期 | 2010 |
| 卷号 | 91期号:1 |
| 关键词 | phase-transformation cdo compressibilities temperature |
| ISSN号 | 0295-5075 |
| 中文摘要 | 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 |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31335]  |
| 专题 | 金属研究所_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). |
入库方式： OAI收割
来源：金属研究所
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