Theoretical calculations for structural, elastic and thermodynamic properties of MgB2 under high pressure
文献类型：期刊论文
| 作者 | Wang, HY; Cheng, Y; Chen, XR; Gou, QQ |
| 刊名 | COMMUNICATIONS IN THEORETICAL PHYSICS
 |
| 出版日期 | 2006-03-15 |
| 卷号 | 45期号:3页码:558-564 |
| 关键词 | elastic constants thermodynamic properties full-potential linearized muffin-tin orbital MgB2 |
| ISSN号 | 0253-6102 |
| 通讯作者 | Chen, XR(xrchen@126.com) |
| 英文摘要 | We have investigated the structural and elastic properties of MgB2 under high pressures using the full-potential linearized muffin-tin orbital (FP-LMTO) scheme within the generalized gradient approximation correction (GGA) in the frame of density functional theory. The calculated pressure dependence of the normalized volume is in excellent agreement with the experimental results. At the same time the elastic constants and acoustic anisotropy as a function of applied pressure are presented. Through the quasi-harmonic Debye model, we also investigate the thermodynamic properties of MgB2. |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000236314900036 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://ir.imr.ac.cn/handle/321006/86817]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Chen, XR |
| 作者单位 | 1.Sichuan Univ, Coll Phys Sci & Technol, Shenyang 610064, Peoples R China 2.Sichuan Univ, Coll Phys Sci & Technol, Chengdu 610064, Peoples R China 3.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 4.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, HY,Cheng, Y,Chen, XR,et al. Theoretical calculations for structural, elastic and thermodynamic properties of MgB2 under high pressure[J]. COMMUNICATIONS IN THEORETICAL PHYSICS,2006,45(3):558-564. |
| APA | Wang, HY,Cheng, Y,Chen, XR,&Gou, QQ.(2006).Theoretical calculations for structural, elastic and thermodynamic properties of MgB2 under high pressure.COMMUNICATIONS IN THEORETICAL PHYSICS,45(3),558-564. |
| MLA | Wang, HY,et al."Theoretical calculations for structural, elastic and thermodynamic properties of MgB2 under high pressure".COMMUNICATIONS IN THEORETICAL PHYSICS 45.3(2006):558-564. |
入库方式： OAI收割
来源：金属研究所
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