Electron-phonon interaction and transport properties of metallic bulk and monolayer transition metal dichalcogenide TaS${}_2$

Abstract

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 TaS${}_2$. 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 TaS${}_2$ as promising material candidate for transparent conductors or as atomically thin interconnects. Throughout the paper, the electronic and transport properties of TaS${}_2$ are compared to those of its isoelectronic counterpart TaSe${}_2$ and additional informations to the latter are given. We furthermore comment on the conventional su- perconductivity in TaS${}_2$, where no phonon-mediated enhancement of TC in the monolayer compared to the bulk state was found.

arXiv commentaccepted in IOPscience 2D Materials, supplemental material is available on the publishers page

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