Atomistic modeling of a superconductor–transition metal dichalcogenide–superconductor Josephson junction

Abstract

Using an atomistic tight-binding model, we investigate the characteristics of a Josephson junction formed by monolayers of ${\mathrm{MoS}}_{2}$ sandwiched between Pb superconducting electrodes. We derive and apply Green's function--based formulation to compute the Josephson current as well as the local density of states in the junction. Our analysis of diagonal and off-diagonal components of the local density of states reveals the presence of triplet superconducting correlations in the ${\mathrm{MoS}}_{2}$ monolayers and spin-polarized subgap (Andreev bound) states. Our formulation can be extended to other systems where atomistic details and large scales are needed to obtain accurate modeling of Josephson junction physics.