Elastic and thermodynamic properties of the zinc-blende structure LiZnN under pressure
文献类型：期刊论文
| 作者 | J. Chang ; X. R. Chen ; Y. Cheng ; J. Zhu |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2010 |
| 卷号 | 405期号:2页码:529-533 |
| 关键词 | ab initio calculations Elastic properties Thermodynamic properties Alloy optical band-gap tetrahedral semiconductor liznn electronic-structure ab-initio limgx x constants crystals growth solids mgo |
| ISSN号 | 0921-4526 |
| 中文摘要 | The elastic and thermodynamic properties of the cubic zinc-blende (ZB) structure LiZnN under high pressure and temperature are investigated by using ab initio plane-wave pseudopotential density functional theory method within the generalized gradient approximation (GGA). The pressure and temperature dependences of the elastic modulus of the filled tetrahedral compounds LiZnN are presented. The calculated results are in excellent agreement with the available experimental data and other theoretical results. Finally, the thermodynamic properties of the zinc-blende structure LiZnN are predicted by using the quasi-harmonic Debye model., the heat capacity C(v), the thermal expansion alpha and the Gruneisen parameter gamma on pressure P and temperature T are also obtained successfully in the ranges of 0-100 GPa and 0-2000 K. (C) 2009 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/321006/31015]  |
| 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 | J. Chang,X. R. Chen,Y. Cheng,et al. Elastic and thermodynamic properties of the zinc-blende structure LiZnN under pressure[J]. Physica B-Condensed Matter,2010,405(2):529-533. |
| APA | J. Chang,X. R. Chen,Y. Cheng,&J. Zhu.(2010).Elastic and thermodynamic properties of the zinc-blende structure LiZnN under pressure.Physica B-Condensed Matter,405(2),529-533. |
| MLA | J. Chang,et al."Elastic and thermodynamic properties of the zinc-blende structure LiZnN under pressure".Physica B-Condensed Matter 405.2(2010):529-533. |
入库方式： OAI收割
来源：金属研究所
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