Thermodynamic properties of OsB under high temperature and high pressure
文献类型：期刊论文
| 作者 | H. H. Chen ; Z. Li ; Y. Cheng ; Y. Bi ; L. C. Cai |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2011 |
| 卷号 | 406期号:17页码:3338-3341 |
| 关键词 | Specific heat Coefficients of thermal expansion Thermodynamic Gruneisen parameter Debye temperature electronic-structure osmium borides elastic-constants thermal-expansion phase-stability 1st-principles superhard nitrides carbides energy |
| ISSN号 | 0921-4526 |
| 中文摘要 | The energy-volume curves of OsB have been obtained using the first-principles plane-wave ultrasoft-pseudopotential density functional theory (DFT) within the generalized gradient approximation (GGA) and local density approximation (LDA). Using the quasi-harmonic Debye model we first analyze the specific heat, the coefficients of thermal expansion as well as the thermodynamic Gruneisen parameter of OsB in a wide temperature range at high pressure. At temperature 300 K, the coefficients of thermal expansion alpha(v) by LDA and GGA calculations are 1.67 x 10(-5) 1/K and 2.01 x 10(-5) 1/K, respectively. The specific heat of OsB at constant pressure (volume) is also calculated. Meanwhile, we find that the Debye temperature of OsB increases monotonically with increasing pressure. The present study leads to a better understanding of how the OsB materials respond to pressure and temperature. (C) 2011 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30254]  |
| 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 | H. H. Chen,Z. Li,Y. Cheng,et al. Thermodynamic properties of OsB under high temperature and high pressure[J]. Physica B-Condensed Matter,2011,406(17):3338-3341. |
| APA | H. H. Chen,Z. Li,Y. Cheng,Y. Bi,&L. C. Cai.(2011).Thermodynamic properties of OsB under high temperature and high pressure.Physica B-Condensed Matter,406(17),3338-3341. |
| MLA | H. H. Chen,et al."Thermodynamic properties of OsB under high temperature and high pressure".Physica B-Condensed Matter 406.17(2011):3338-3341. |
入库方式： OAI收割
来源：金属研究所
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