Studies on thermodynamic properties of III-V compounds by first-principles response-function calculation
文献类型：期刊论文
| 作者 | S. Q. Wang |
| 刊名 | Physica Status Solidi B-Basic Solid State Physics
 |
| 出版日期 | 2009 |
| 卷号 | 246期号:7页码:1618-1627 |
| 关键词 | ab-initio calculation bond-charge model space gaussian pseudopotentials temperature thermal-expansion lattice-dynamical properties pressure dependences gruneisen parameters phonon dispersions elastic properties electron-gas |
| ISSN号 | 0370-1972 |
| 中文摘要 | The temperature dependences of the Gruneisen parameter, heat capacity, bulk modulus and linear thermal expansion coefficient of sixteen III-V zincblende compounds are studied by first-principles response-function calculations. The fundamental relationships among these physical parameters are explored. Negative thermal expansions at lower temperature are found in most of these III-V phases except for the nitrides and boron compounds. By analyzing the cell-volume dependences of the phonon spectrum, it is found that the phases with a negative thermal expansion show a significant acoustic phonon weakening at the X-point in their phonon dispersion, while slight weakening is only seen around the L-point for those boron phases. There is no sign of phonon weakening in the nitrides. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32375]  |
| 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 | S. Q. Wang. Studies on thermodynamic properties of III-V compounds by first-principles response-function calculation[J]. Physica Status Solidi B-Basic Solid State Physics,2009,246(7):1618-1627. |
| APA | S. Q. Wang.(2009).Studies on thermodynamic properties of III-V compounds by first-principles response-function calculation.Physica Status Solidi B-Basic Solid State Physics,246(7),1618-1627. |
| MLA | S. Q. Wang."Studies on thermodynamic properties of III-V compounds by first-principles response-function calculation".Physica Status Solidi B-Basic Solid State Physics 246.7(2009):1618-1627. |
入库方式： OAI收割
来源：金属研究所
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