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题名: Pressure-induced structural phase transition and electronic properties of RESb (RE = Ho, Er and Tm) compounds: ab initio calculations
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
学科分类: Physics
通讯作者: Sahu, AK (reprint author), Barkatullah Univ, Dept Phys, Bhopal 462026, India.
部门归属: [Sahu, A. K.; Singh, A.; Sanyal, Sankar P.] Barkatullah Univ, Dept Phys, Bhopal 462026, India; [Sahu, A. K.] Truba Inst Engn & Informat Technol, Bhopal 462023, India; [Jha, Prafulla K.] Chinese Acad Sci, Inst Theoret Phys, Beijing 100080, Peoples R China; [Jha, Prafulla K.] Bhavnagar Univ, Dept Phys, Bhavnagar 364022, Gujarat, 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.
资助者: UGC-(SAP); CSIR; MPCST; TWAS
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000299703000003
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/14454
Appears in Collections:理论物理所2011年知识产出_期刊论文

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Recommended Citation:
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.
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