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

被引:36
|
作者
Hinsche, Nicki Frank [1 ]
Thygesen, Kristian Sommer [1 ]
机构
[1] Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Design, DK-2800 Lyngby, Denmark
来源
2D MATERIALS | 2018年 / 5卷 / 01期
关键词
transition metal dichalcogenide; electronic transport; DFT; electron-phonon; SUPERCONDUCTIVITY;
D O I
10.1088/2053-1583/aa8e6c
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
引用
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页数:7
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