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Pressure-induced structural phase transition and electronic properties of RESb (RE = Ho, Er and Tm) compounds: ab initio calculations
Sahu, AK; Singh, A; Jha, PK; Sanyal, SP; Sahu, AK (reprint author), Barkatullah Univ, Dept Phys, Bhopal 462026, India.
2011
发表期刊PHASE TRANSITIONS
ISSN0141-1594
卷号84期号:7页码:603-612
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.
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
关键词Nacl-type Structure 1st-principles Cerium Lanthanide Pnictides Behavior Ln
学科领域Physics
资助者UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS
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收录类别SCI
语种英语
资助者UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS ; UGC-(SAP); CSIR; MPCST; TWAS
WOS记录号WOS:000299703000003
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文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/14454
专题理论物理所SCI论文
通讯作者Sahu, AK (reprint author), Barkatullah Univ, Dept Phys, Bhopal 462026, India.
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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,&Sahu, AK .(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.
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