Electron–phonon interaction and transport properties of metallic bulk and monolayer transition metal dichalcogenide TaS₂

Transition metal dichalcogenides have recently emerged as promising two-dimensional materials with intriguing electronic properties. Existing calculations of intrinsic phonon-limited electronic transport so far have concentrated on the semicondcucting members of this family. In this paper we extend these studies by investigating the influence of electron–phonon coupling on the electronic transport properties and band renormalization of prototype inherent metallic bulk and monolayer TaS₂. Based on density functional perturbation theory and semi-classical Boltzmann transport calculations, promising room temperature mobilities and sheet conductances are found, which can compete with other established 2D materials, leaving TaS₂ as promising material candidate for transparent conductors or as atomically thin interconnects. Throughout the paper, the electronic and transport properties of TaS₂ are compared to those of its isoelectronic counterpart TaSe₂ and additional informations to the latter are given. We furthermore comment on the conventional superconductivity in TaS₂, where no phonon-mediated enhancement of T _C in the monolayer compared to the bulk state was found. (paper)