Estimate bond angle dependence of superconducting transition temperature in NaFeAs with the first principle methods
Sun, Tieyu1; Huang, Haitao1; Peng, Biaolin1; Zheng, Renkui1,2; Lam, Chi-Hang1; Tang, Tao1,3; Wang, Yu1
刊名SOLID STATE COMMUNICATIONS
2016-10-01
卷号246页码:12-16
关键词Superconductor NaFeAs Bond angle Transition temperature
英文摘要

The change of superconducting transition temperature (T-c) with bond angle in iron-pnictides was investigated by first-principles calculation based on density functional theory. A Green's function method was adopted to estimate the maximum eigenvalue of Eliashberg equation (an indicator of T-c) for NaFeAs with different bond angles. Through calculations the band structure of NaFeAs was obtained. It was found that hole pockets could form at the center of the first Brillion zone in the band structure, which confirmed the existence of superconductivity in NaFeAs. The upper limit of the Fe-As-Fe bond angle for superconductivity was found to be 121 degrees and the highest T-c would occur at the angle of 108 degrees. (C) 2016 Elsevier Ltd. All rights reserved.

WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Condensed Matter
研究领域[WOS]Physics
关键词[WOS]STRONG-COUPLED SUPERCONDUCTORS ; THIN-FILMS ; LAYERED SUPERCONDUCTOR ; MGB2
收录类别SCI
语种英语
WOS记录号WOS:000384868100003
内容类型期刊论文
源URL[http://ir.sic.ac.cn/handle/331005/22028]  
专题上海硅酸盐研究所_高性能陶瓷和超微结构国家重点实验室_期刊论文
作者单位1.Hong Kong Polytech Univ, Dept Appl Phys, Hong Kong, Hong Kong, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai, Peoples R China
3.China Acad Engn Phys, Mianyang 621900, Sichuan, Peoples R China
推荐引用方式
GB/T 7714
Sun, Tieyu,Huang, Haitao,Peng, Biaolin,et al. Estimate bond angle dependence of superconducting transition temperature in NaFeAs with the first principle methods[J]. SOLID STATE COMMUNICATIONS,2016,246:12-16.
APA Sun, Tieyu.,Huang, Haitao.,Peng, Biaolin.,Zheng, Renkui.,Lam, Chi-Hang.,...&Wang, Yu.(2016).Estimate bond angle dependence of superconducting transition temperature in NaFeAs with the first principle methods.SOLID STATE COMMUNICATIONS,246,12-16.
MLA Sun, Tieyu,et al."Estimate bond angle dependence of superconducting transition temperature in NaFeAs with the first principle methods".SOLID STATE COMMUNICATIONS 246(2016):12-16.
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