Pressure-induced structural phase transition and electronic properties of RESb (RE = Ho, Er and Tm) compounds: ab initio calculations
文献类型：期刊论文
| 作者 | Sahu, AK ; Singh, A ; Jha, PK ; Sanyal, SP |
| 刊名 | PHASE TRANSITIONS
 |
| 出版日期 | 2011 |
| 卷号 | 84期号:7页码:603-612 |
| 关键词 | NACL-TYPE STRUCTURE 1ST-PRINCIPLES CERIUM LANTHANIDE PNICTIDES BEHAVIOR LN |
| ISSN号 | 0141-1594 |
| 通讯作者 | Sahu, AK (reprint author), Barkatullah Univ, Dept Phys, Bhopal 462026, India. |
| 英文摘要 | The structural phase transition and electronic properties at ambient (B-1-phase) and high pressure (B-2-phase) of heavy rare earth monoantimonides (RESb; RE = Ho, Er, and Tm) have been studied theoretically using the self-consistent tight binding linear muffin tin orbital method. These compounds show metallic behavior under ambient condition and undergo a structural phase transition to the B-2 phase at high pressure. We predict a structural phase transition from the B-1 to B-2 phase in the pressure range 30.0-35.0 GPa. Apart from this, the ground state properties, such as lattice parameter and bulk modulus are calculated and compared with the available theoretical and experimental results. |
| 学科主题 | Physics |
| 收录类别 | SCI |
| 资助信息 | UGC-(SAP); CSIR; MPCST; TWAS |
| 原文出处 | http://dx.doi.org/10.1080/01411594.2010.545939 |
| 语种 | 英语 |
| WOS记录号 | WOS:000299703000003 |
| 公开日期 | 2013-05-17 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/14454]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 推荐引用方式 GB/T 7714 | Sahu, AK,Singh, A,Jha, PK,et al. Pressure-induced structural phase transition and electronic properties of RESb (RE = Ho, Er and Tm) compounds: ab initio calculations[J]. PHASE TRANSITIONS,2011,84(7):603-612. |
| APA | Sahu, AK,Singh, A,Jha, PK,&Sanyal, SP.(2011).Pressure-induced structural phase transition and electronic properties of RESb (RE = Ho, Er and Tm) compounds: ab initio calculations.PHASE TRANSITIONS,84(7),603-612. |
| MLA | Sahu, AK,et al."Pressure-induced structural phase transition and electronic properties of RESb (RE = Ho, Er and Tm) compounds: ab initio calculations".PHASE TRANSITIONS 84.7(2011):603-612. |
入库方式： OAI收割
来源：理论物理研究所
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