First-principles calculations for structure and equation of state of MgB(2) at high pressure
文献类型：期刊论文
| 作者 | X. R. Chen ; H. Y. Wang ; Y. Cheng ; Y. J. Hao |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2005 |
| 卷号 | 370期号:1-4页码:281-286 |
| 关键词 | equation of state full-potential linearized muffin-tin orbital generalized gradient approximation MgB(2) superconducting mgb2 mechanical-behavior magnesium diboride elastic-constants systems model band |
| ISSN号 | 0921-4526 |
| 中文摘要 | We investigate the structure and the equation of state of compound MgB(2) at high pressure using the full-potential linearized muffin-tin orbital scheme within the generalized gradient approximation correction in the frame of density functional theory. Through the quasi-harmonic Debye model, in which the phononic effects are considered, we have obtained successfully the bulk modulus and the thermal expansion of MgB(2). (c) 2005 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34817]  |
| 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 | X. R. Chen,H. Y. Wang,Y. Cheng,et al. First-principles calculations for structure and equation of state of MgB(2) at high pressure[J]. Physica B-Condensed Matter,2005,370(1-4):281-286. |
| APA | X. R. Chen,H. Y. Wang,Y. Cheng,&Y. J. Hao.(2005).First-principles calculations for structure and equation of state of MgB(2) at high pressure.Physica B-Condensed Matter,370(1-4),281-286. |
| MLA | X. R. Chen,et al."First-principles calculations for structure and equation of state of MgB(2) at high pressure".Physica B-Condensed Matter 370.1-4(2005):281-286. |
入库方式： OAI收割
来源：金属研究所
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