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

Using an atomistic tight-binding model, we investigate the characteristics of a Josephson junction formed by monolayers of MoS₂ 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 MoS₂ 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.