Phase Transition and Thermodynamics of Ruthenium Diboride via First-Principles Calculations
文献类型：期刊论文
| 作者 | F. Luo ; Y. Cheng ; G. F. Ji ; X. R. Chen |
| 刊名 | Chinese Physics Letters
 |
| 出版日期 | 2009 |
| 卷号 | 26期号:9 |
| 关键词 | molecular-dynamics crystal-structure superconductivity rub2 osb2 borides zrb2 |
| ISSN号 | 0256-307X |
| 中文摘要 | The pressure induced phase transitions of RuB(2) from the OsB(2)-type structure to the ReB(2)-type structure are investigated by first-principles calculations based on the plane-wave basis set with the generalized gradient approximation for exchange and correlation. It is found that the phase transition occurs at 18.6 GPa. We predict the phase transition from the OsB(2)-type RuB(2) to the ReB(2)-type RuB(2) at high temperatures for the first time. The dependences of the heat capacity, thermal expansion coefficient, and the Gruneisen parameter on pressure and temperature for OsB(2)-type RuB(2) and ReB(2)-type RuB(2) are also investigated. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32165]  |
| 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 | F. Luo,Y. Cheng,G. F. Ji,et al. Phase Transition and Thermodynamics of Ruthenium Diboride via First-Principles Calculations[J]. Chinese Physics Letters,2009,26(9). |
| APA | F. Luo,Y. Cheng,G. F. Ji,&X. R. Chen.(2009).Phase Transition and Thermodynamics of Ruthenium Diboride via First-Principles Calculations.Chinese Physics Letters,26(9). |
| MLA | F. Luo,et al."Phase Transition and Thermodynamics of Ruthenium Diboride via First-Principles Calculations".Chinese Physics Letters 26.9(2009). |
入库方式： OAI收割
来源：金属研究所
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