Superconductivity in quasi-2D InTaX2 (X = S, Se) type-II Weyl semimetals

Abstract

Herein, first-principles calculations were employed to study the electronic, topological, and superconducting properties of InTaX2 (X = S, Se). InTaX2 exhibits 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 InTaSe2 and InTaS2 to be superconducting around 2.38 K and 3.25 K. The prediction of these exotic properties in InTaX2 (X = S, Se) makes them suitable for experimental validation of topological superconductivity in type-II WSMs.