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

Nicki Frank Hinsche*, Kristian Sommer Thygesen

*Corresponding author for this work

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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 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 TC in the monolayer compared to the bulk state was found.
Original languageEnglish
Article number015009
Journal2D materials
Volume5
Issue number1
Number of pages7
ISSN2053-1583
DOIs
Publication statusPublished - 2018

Keywords

  • Transition metal dichalcogenide
  • Electronic transport
  • DFT
  • Electron–phonon

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