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

TL;DR

This study investigates the electron-phonon interactions in metallic TaS$_2$, revealing promising transport properties for 2D applications and comparing its behavior to TaSe$_2$, with implications for conductivity and superconductivity.

Contribution

It extends previous research by analyzing electron-phonon effects on metallic TaS$_2$, providing detailed transport property calculations for both bulk and monolayer forms.

Findings

Room temperature mobilities are competitive with other 2D materials.

No phonon-mediated enhancement of superconducting transition temperature in monolayer TaS$_2$.

Transport properties are comparable between bulk and monolayer 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.