论文标题

金属富含金属葡萄基的超导性TA2SE中的超导性

Superconductivity in Metal-Rich Chalcogenide Ta2Se

论文作者

Gui, Xin, Gornicka, Karolina, Klimczuk, Tomasz, Xie, Weiwei

论文摘要

已知金属富含金属硫化物中的金属金属键表现出各种结构并主导着有趣的物理特性。 TA2SE可以通过弧熔融和固态颗粒方法获得。 TA2SE用空间群P4/NMM结晶了分层的四方结构(S.G.129,Pearson符号TP6)。每个单元电池由四层以身体为中心的封闭填料Ta原子组成,这些原子夹在两个SE原子之间,形成SE-TA-TA-TA-TA-TA-SE网络。 TA2SE上的磁敏感性,电阻率和热容量测量结果的综合结果表明,TC = 3.8(1)K的批量超导率。根据第一主要计算,TA原子中的D原子在TA2SE中占主导地位。布里渊区(BZ)中伽马点(BZ)的平坦带屈服于范霍夫(Van Hove)奇异性(DOS)周围的状态密度(DOS),这是通过引入旋转轨道耦合(SOC)效应来加强的,因此,TA2SE中的超导性至关重要。物理特性,尤其是超导性与富富合金或过渡金属二分法元素Tase2完全不同。

The metal-metal bond in metal-rich chalcogenide is known to exhibit various structures and dominate interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (S.G.129, Pearson symbol tP6). Each unit cell consists of four layers of body-centered closed packing Ta atoms sandwiched between two square nets of Se atoms, forming the Se-Ta-Ta-Ta-Ta-Se networks. A combined result of magnetic susceptibility, resistivity, and heat capacity measurements on Ta2Se indicate the bulk superconductivity with Tc = 3.8 (1) K. According to the first-principal calculations, the d orbitals in Ta atoms dominate the Fermi level in Ta2Se. The flat bands at gamma-point in the Brillouin zone (BZ) yield to the van Hove singularities in density of states (DOS) around the Fermi level, which is intensified by introducing spin-orbit coupling (SOC) effect, thus, could be critical for the superconductivity in Ta2Se. The physical properties especially superconductivity is completely different from Ta-rich alloys or transition metal dichalcogenide TaSe2.

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