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First-Principles Study the Electronic and Thermodynamic Properties for CoBi3 Superconductor

文献类型：期刊论文

作者Wei, Xiao-Ping1,2; Zhou, You-He1,2; Zhang, Ya-Ling3
刊名JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
出版日期2016-05-01
卷号29页码:1203-1211
关键词First-principles calculations Superconductor Electronic structure Thermodynamic properties
ISSN号1557-1939
DOI10.1007/s10948-016-3400-y
英文摘要The electronic, elastic, and thermodynamic properties of CoBi3 superconductor are investigated by means of first-principles calculations along with the quasi-harmonic Debye model. Our results reveal that the calculated lattice constants are in good agreement with the experimental data. The electronic density of states (DOS) in the vicinity of the Fermi level are dominated by Co- 3d and Bi- 6p states, which are crucial for superconductivity. The elastic constants of CoBi3 superconductor are calculated, and the bulk modulus, shear modulus, and Young's modulus have been evaluated. In addition, the ductility behavior is also predicted. Finally, using a quasi-harmonic Debye model, the Debye temperature, the heat capacity, the coefficient of thermal expansion, and the Gruneisen parameter are obtained.
WOS关键词CRYSTAL-STRUCTURE ; SINGLE-CRYSTAL ; SKUTTERUDITE ; REFINEMENT ; COMPOUND ; SOLIDS ; BINARY ; BI3NI ; MGF2 ; BI
WOS研究方向Physics
语种英语
WOS记录号WOS:000374264600012
出版者SPRINGER
源URL[http://119.78.100.186/handle/113462/42305]  
专题中国科学院近代物理研究所
通讯作者Wei, Xiao-Ping
作者单位1.Minist Educ China, Key Lab Mech Disaster & Environm Western China, Lanzhou 730000, Peoples R China
2.Lanzhou Univ, Coll Civil Engn & Mech, Dept Mech & Engn Sci, Lanzhou 730000, Peoples R China
3.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China
推荐引用方式
GB/T 7714		 Wei, Xiao-Ping,Zhou, You-He,Zhang, Ya-Ling. First-Principles Study the Electronic and Thermodynamic Properties for CoBi3 Superconductor[J]. JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM,2016,29:1203-1211.
APA Wei, Xiao-Ping,Zhou, You-He,&Zhang, Ya-Ling.(2016).First-Principles Study the Electronic and Thermodynamic Properties for CoBi3 Superconductor.JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM,29,1203-1211.
MLA Wei, Xiao-Ping,et al."First-Principles Study the Electronic and Thermodynamic Properties for CoBi3 Superconductor".JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM 29(2016):1203-1211.

入库方式： OAI收割

来源：近代物理研究所

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