Electronic structure of the new Ni-based superconductor KNi2Se2
Electronic structure of the new Ni-based superconductor KNi2Se2
复制标题
新型镍基超导体KNi2Se2的电子结构
DOI：
10.1088/0953-8984/24/49/495501
复制
发表时间：
2012-12-12
影响因子：
2.7
通讯作者：
Wang, Wei-Hua
中科院分区：
文献类型：
--
作者：
Lu, Feng;Zhao, Jian Zhou;Wang, Wei-Hua
用第一性原理计算方法研究了新发现的超导体KNi_2Se_2的电子结构。计算结果表明，其基态为准二维金属，费米面由Ni的3d和Se的4p态贡献.这些态决定了重费米子超导体KNi 2Se 2的重要物理性质，如重费米子行为和低超导转变温度。基于计算结果的多轨道性质，我们认为KNi_2Se_2可能具有复杂的超导多能隙结构。研究了库仑相互作用对材料电子结构和3d轨道性质的影响。
The electronic structure of the newly discovered superconductor KNi2Se2 is studied by first-principles calculations. Our results show that its ground state is a quasi-two-dimensional metal and the Fermi surface is contributed by the Ni 3d and Se 4p states. These states determine the significant physical properties of the heavy-fermion superconductor KNi2Se2, such as the heavy-fermion behavior and low superconducting transition temperature. Based on the multi-orbital character of our calculation, we suggest that KNi2Se2 may have a complicated superconducting multi-gap structure. The influence of the Coulomb interaction on the electronic structure and the 3d orbital character in this material is also investigated.