Abstract

Neither of the two typical two-dimensional materials, graphene and single layer MoS, are good enough for developing semiconductor logical devices. We calculated the electron mobility of 14 two-dimensional semiconductors with composition of MX, where M (=Mo, W, Sn, Hf, Zr and Pt) are transition metals, and Xs are S, Se and Te. We approximated the electron phonon scattering matrix by deformation potentials, within which long wave longitudinal acoustical and optical phonon scatterings were included. Piezoelectric scattering in the compounds without inversion symmetry is also taken into account. We found that out of the 14 compounds, WS, PtS and PtSe are promising for logical devices regarding the possible high electron mobility and finite band gap. Especially, the phonon limited electron mobility in PtSe reaches about 4000 cm·V·s at room temperature, which is the highest among the compounds with an indirect bandgap of about 1.25 eV under the local density approximation. Our results can be the first guide for experiments to synthesize better two-dimensional materials for future semiconductor devices.

Highlights

  • Two-dimensional (2D) layered materials have received a lot of research attention since the discovery of graphene

  • The electronic structures have been discussed in our previous work [19], where the most important parameters for the mobility are the effective masses of electrons

  • The electron mobility of 14 MX2 type two-dimensional semiconductors were calculated where the elastic scattering from the long wave acoustic and optical phonons were taken into account by the deformation potential approximation

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Summary

Introduction

Two-dimensional (2D) layered materials have received a lot of research attention since the discovery of graphene. New materials such as transitional metal dichalcogenides (TMDs), especially MoS2 [1], and black phosphorus [2], with one or several atomic layers, were synthesized. High speed radio frequency devices, which make full use of the ultrahigh electron mobility in graphene [8], were fabricated. In order to be good candidates in logical devices, the materials are required to have both a sizable bandgap and a high carrier mobility. Some more MX2 monolayers have been fabricated, especially WS2 , WSe2 , and MoSe2 , where the highest electron mobility reaches 142 cm2 ·V−1 ·s−1 in Materials 2016, 9, 716; doi:10.3390/ma9090716 www.mdpi.com/journal/materials

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