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Highly anisotropic electronic and mechanical properties of monolayer and bilayer As<inf>2</inf>S<inf>3</inf>

Liu, X and Zhang, Z and Ding, Z and Lv, B and Luo, Z and Wang, JS and Gao, Z (2021) Highly anisotropic electronic and mechanical properties of monolayer and bilayer As<inf>2</inf>S<inf>3</inf>. Applied Surface Science, 542. ISSN 0169-4332

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Two-dimensional(2D) material with high anisotropy as well as robust stability would inspire significant interest in the new-generation electronic and optomechanical field, especially for directional memories, synaptic, neuromorphic and polarization-sensitive photodetector devices. Recently, 2D As S was successfully exfoliated in experiments (Šiškins et al., 2019) and was demonstrated to be stable in the ambient. Herein, by using first principles method, we further systematically predicted its angular-dependent electronic and mechanical properties. Specifically, the angle-resolved effective mass of carriers, carrier mobility, three dimensional band structure, stress–strain relationships, as well as the angle-dependent mechanical properties are investigated. Our results show that 2D As S owns a high anisotropic nature both electronically and mechanically. We found that, due to the large anisotropic charge distributions, 2D single (bilayer) As S has shown a value of 3.15 (3.32) in Young's modulus ratio along two axes. These values are much greater than the corresponding 2D black phosphorous of 2 (Tao et al., 2015), which is experimentally confirmed the largest one up to date. Our findings provide an valuable avenue to realize the flexible orientation-dependent nano-devices. 2 3 2 3 2 3

Item Type: Article
Depositing User: Cron Job
Date Deposited: 25 Jan 2021 20:04
Last Modified: 13 Apr 2021 10:47
DOI: 10.1016/j.apsusc.2020.148665