First-principles calculations of elastic properties of LiBC
文献类型：期刊论文
| 作者 | Z. L. Liu ; X. R. Chen ; Y. L. Wang |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2006 |
| 卷号 | 381期号:1-2页码:139-143 |
| 关键词 | elastic constants Debye temperature anisotropy LiBC superconducting mgb2 transition-metals high-pressure constants diboride systems model band |
| ISSN号 | 0921-4526 |
| 中文摘要 | We employ all-electron full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) to calculate the equilibrium lattice parameters, five independent elastic constants and Debye temperature of LiBC. The equilibrium lattice parameters obtained are in good agreement with experimental data and those by others. The Debye temperature OD from the calculated elastic constants of LiBC is higher than that of MgB(2) and TiB(2). The anisotropies of the three types of elastic waves in LiBC at zero pressure have been discussed. It is found that the anisotropy of compressional waves in LiBC is considerably larger than that in MgB(2) and TiB(2). (c) 2006 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34374]  |
| 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 | Z. L. Liu,X. R. Chen,Y. L. Wang. First-principles calculations of elastic properties of LiBC[J]. Physica B-Condensed Matter,2006,381(1-2):139-143. |
| APA | Z. L. Liu,X. R. Chen,&Y. L. Wang.(2006).First-principles calculations of elastic properties of LiBC.Physica B-Condensed Matter,381(1-2),139-143. |
| MLA | Z. L. Liu,et al."First-principles calculations of elastic properties of LiBC".Physica B-Condensed Matter 381.1-2(2006):139-143. |
入库方式： OAI收割
来源：金属研究所
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