Elastic and thermodynamic properties of c-BN from first-principles calculations
文献类型：期刊论文
| 作者 | Y. J. Hao ; Y. Cheng ; Y. J. Wang ; X. R. Chen |
| 刊名 | Chinese Physics
 |
| 出版日期 | 2007 |
| 卷号 | 16期号:1页码:217-222 |
| 关键词 | elastic constants thermodynamic properties local density approximation c-BN cubic boron-nitride superconducting mgb2 zincblende bn constants phase aln gan transition pressure inn |
| ISSN号 | 1009-1963 |
| 中文摘要 | The elastic constants and thermodynamic properties of c-BN are calculated using the first-principles plane wave method with the relativistic analytic pseudopotential of the Hartwigen, Goedecker and Hutter (HGH) type in the frame of local density approximation and using the quasi-harmonic Debye model, separately. Moreover, the dependences of the normalized volume V/V-0 on pressure P, as well as the bulk modulus B, the thermal expansion alpha, and the heat capacity C-V on pressure P and temperature T are also successfully obtained. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33566]  |
| 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 | Y. J. Hao,Y. Cheng,Y. J. Wang,et al. Elastic and thermodynamic properties of c-BN from first-principles calculations[J]. Chinese Physics,2007,16(1):217-222. |
| APA | Y. J. Hao,Y. Cheng,Y. J. Wang,&X. R. Chen.(2007).Elastic and thermodynamic properties of c-BN from first-principles calculations.Chinese Physics,16(1),217-222. |
| MLA | Y. J. Hao,et al."Elastic and thermodynamic properties of c-BN from first-principles calculations".Chinese Physics 16.1(2007):217-222. |
入库方式： OAI收割
来源：金属研究所
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