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Pressure-Induced Superconductivity in the Wide-Band-Gap Semiconductor Cu2Br2Se6 with a Robust Framework
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-06-22 , DOI: 10.1021/acs.chemmater.0c02151 Weizhao Cai 1 , Wenwen Lin 2 , Yan Yan 3 , Katerina P. Hilleke 3 , Jared Coles 1 , Jin-Ke Bao 2 , Jingui Xu 4 , Dongzhou Zhang 4 , Duck Young Chung 2 , Mercouri G. Kanatzidis 2, 5 , Eva Zurek 3 , Shanti Deemyad 1
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-06-22 , DOI: 10.1021/acs.chemmater.0c02151 Weizhao Cai 1 , Wenwen Lin 2 , Yan Yan 3 , Katerina P. Hilleke 3 , Jared Coles 1 , Jin-Ke Bao 2 , Jingui Xu 4 , Dongzhou Zhang 4 , Duck Young Chung 2 , Mercouri G. Kanatzidis 2, 5 , Eva Zurek 3 , Shanti Deemyad 1
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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 21 helical chains along the c-axis and are linked by the cyclohexane-like Se6 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.
中文翻译：
具有稳健骨架的宽带隙半导体Cu 2 Br 2 Se 6中的压力诱导超导
我们报告了三元和非磁性含铜半导体Cu 2 Br 2 Se 6中的压力诱导超导性，其宽带隙为1.89 eV，其中Cu和Br原子沿c轴生成无限2 1螺旋链并通过类似环己烷的Se 6连接环形成一个三维框架。我们发现该框架在压缩情况下非常坚固，并且环境压力阶段至少可以维持到我们的实验极限32.1 GPa。在21.0 GPa以上观察到了同时发生的半导体到金属的转变和超导性。在40.0 GPa时，超导温度从4.0单调增加到6.7K。第一性原理计算表明，超导性的出现与弱多中心键的形成有关，该弱多中心键涉及Cu原子和Se原子子集的配位增加。在这种类型的非磁性过渡金属基材料中超导性的观察将激发有关新超导体在压力下的探索。
更新日期：2020-07-28
中文翻译：
具有稳健骨架的宽带隙半导体Cu 2 Br 2 Se 6中的压力诱导超导
我们报告了三元和非磁性含铜半导体Cu 2 Br 2 Se 6中的压力诱导超导性，其宽带隙为1.89 eV，其中Cu和Br原子沿c轴生成无限2 1螺旋链并通过类似环己烷的Se 6连接环形成一个三维框架。我们发现该框架在压缩情况下非常坚固，并且环境压力阶段至少可以维持到我们的实验极限32.1 GPa。在21.0 GPa以上观察到了同时发生的半导体到金属的转变和超导性。在40.0 GPa时，超导温度从4.0单调增加到6.7K。第一性原理计算表明，超导性的出现与弱多中心键的形成有关，该弱多中心键涉及Cu原子和Se原子子集的配位增加。在这种类型的非磁性过渡金属基材料中超导性的观察将激发有关新超导体在压力下的探索。
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