Phase transition and thermodynamic properties of SrS via first-principles calculations
文献类型：期刊论文
| 作者 | Y. Cheng ; L. Y. Lu ; O. H. Jia ; X. R. Chen |
| 刊名 | Chinese Physics B
 |
| 出版日期 | 2008 |
| 卷号 | 17期号:4页码:1355-1359 |
| 关键词 | phase transition thermodynamic properties SrS pressure solids srte sulfides |
| ISSN号 | 1674-1056 |
| 中文摘要 | The phase transition of SrS from NaCl structure (B1) to CsCl structure (B2) is investigated by means of ab initio plane-wave pseudopotential density functional theory, and the thermodynamic proper-ties of the B1 and the B2 structures are obtained through the quasi-harmonic Debye model. It is found that the transition phase from the B1 to the B2 structures occurs at 17.9 GPa, which is in good agreement with experimental data and other calculated results. Moreover, the thermodynamic properties (including specific heat capacity, the Debye temperature, thermal expansion and Gruneisen parameter) have also been obtained successfully. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32692]  |
| 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 | Y. Cheng,L. Y. Lu,O. H. Jia,et al. Phase transition and thermodynamic properties of SrS via first-principles calculations[J]. Chinese Physics B,2008,17(4):1355-1359. |
| APA | Y. Cheng,L. Y. Lu,O. H. Jia,&X. R. Chen.(2008).Phase transition and thermodynamic properties of SrS via first-principles calculations.Chinese Physics B,17(4),1355-1359. |
| MLA | Y. Cheng,et al."Phase transition and thermodynamic properties of SrS via first-principles calculations".Chinese Physics B 17.4(2008):1355-1359. |
入库方式： OAI收割
来源：金属研究所
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