Dissemin is shutting down on January 1st, 2025

Published in

MDPI, Nanomaterials, 18(13), p. 2535, 2023

DOI: 10.3390/nano13182535

Links

Tools

Export citation

Search in Google Scholar

First Principle Study on the Effect of Strain on the Electronic Structure and Carrier Mobility of the Janus MoSTe and WSTe Monolayers

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

Full text: Download

Green circle
Preprint: archiving allowed
Green circle
Postprint: archiving allowed
Green circle
Published version: archiving allowed
Data provided by SHERPA/RoMEO

Abstract

Using first-principle calculations, we investigate the impact of strain on the electronic structures and effective masses of Janus WSTe and MoSTe monolayers. The calculations were performed using the QUANTUM-ESPRESSO package, employing the PBE and HSE06 functionals. Our results demonstrate that strain fundamentally changes the electronic structures of the Janus WSTe and MoSTe monolayers. We observe that deformation causes a shift in the maxima and minima of the valence and conduction bands, respectively. We find that the effective electrons and hole masses of MoSTe and WSTe can be changed by deformation. In addition, the strain’s effect on carrier mobility is also investigated in this work via the deformation potential theory.