Adam Mukhtar Lawan, Bala Abba Alhaji
National Synchrotron Radiation Laboratory, CAS Center for Excellence in Nanoscience, University of Science and Technology of China, Hefei, Anhui 230029, People's Republic of China.
Physics Department, Bayero University, Kano 700231, Nigeria.
J Phys Condens Matter. 2021 May 4;33(22). doi: 10.1088/1361-648X/abed1a.
Herein, first-principles calculations were employed to study the electronic, topological, and superconducting properties of InTaX(X = S, Se). InTaXexhibits nodal lines in the absence of spin-orbit coupling (SOC); on SOC inclusion, the nodal lines form Weyl rings with the Weyl points classified as a type-II Weyl semimetal (WSM) with tilted cones. Using Green functions method calculations, surface states distinguishable from the bulk states, and Fermi arcs surface states were visualized on the (001) easily cleavable indium terminated surface of both materials. The electron-phonon calculations using the Allen-Dynes relations predict InTaSeand InTaSto be superconducting around 2.38 K and 3.25 K. The prediction of these exotic properties in InTaX(X = S, Se) makes them suitable for experimental validation of topological superconductivity in type-II WSMs.
在此,采用第一性原理计算来研究InTaX(X = S,Se)的电子、拓扑和超导性质。InTaX在没有自旋轨道耦合(SOC)的情况下呈现节线;加入SOC后,节线形成外尔环,外尔点被归类为具有倾斜锥的II型外尔半金属(WSM)。使用格林函数方法计算,在两种材料易于解理的(001)铟端表面上可视化了与体态可区分的表面态和费米弧表面态。利用艾伦 - 戴恩斯关系进行的电子 - 声子计算预测InTaSe和InTaS在约2.38 K和3.25 K时超导。InTaX(X = S,Se)中这些奇异性质的预测使其适用于II型WSM中拓扑超导性的实验验证。