Pressure-Induced Superconductivity in the Wide-Band-Gap Semiconductor Cu2Br2Se6 with a Robust Framework

被引:8
作者
Cai, Weizhao [4 ]
Lin, Wenwen [1 ]
Yan, Yan [3 ]
Hilleke, Katerina P. [3 ]
Coles, Jared [4 ]
Bao, Jin-Ke [1 ]
Xu, Jingui [5 ]
Zhang, Dongzhou [5 ]
Chung, Duck Young [1 ]
Kanatzidis, Mercouri G. [1 ,2 ]
Zurek, Eva [3 ]
Deemyad, Shanti [4 ]
机构
[1] Argonne Natl Lab, Mat Sci Div, Lemont, IL 60439 USA
[2] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA
[3] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA
[4] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA
[5] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, PX2, Honolulu, HI 96822 USA
基金
美国国家科学基金会;
关键词
TRANSITION-TEMPERATURE; CRYSTAL-STRUCTURES; METAL TRANSITION; IRON; CU; PSEUDOPOTENTIALS; CONDUCTIVITY; BEHAVIOR; COHP;
D O I
10.1021/acs.chemmater.0c02151
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report pressure-induced superconductivity in a ternary and nonmagnetic Cu-containing semiconductor, Cu2Br2Se6, with a wide band gap of 1.89 eV, in which the Cu and Br atoms generate infinite 2, helical chains along the c-axis and are linked by the cyclohexane-like Se 6 rings to form a three-dimensional framework. We find that this framework is remarkably robust under compression, and the ambient-pressure phase survives at least to our experimental limit of 32.1 GPa. Concurrent semiconductor-to-metal transition and superconductivity are observed above 21.0 GPa. The superconducting temperature monotonically increases from 4.0 to 6.7 K at 40.0 GPa. First-principles calculations show that the emergence of superconductivity is associated with the formation of weak multicentered bonds that involve the increase in coordination of the Cu atoms and a subset of the Se atoms. The observation of superconductivity in this type of nonmagnetic transition-metal-based material will inspire the exploration of related new superconductors under pressure.
引用
收藏
页码:6237 / 6246
页数:10
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