4.5 Article

Theoretical insight into structure stability, elastic property and carrier mobility of monolayer arsenene under biaxial strains

Journal

SUPERLATTICES AND MICROSTRUCTURES
Volume 100, Issue -, Pages 324-334

Publisher

ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
DOI: 10.1016/j.spmi.2016.09.044

Keywords

Arsenene; Structure stability; Elastic property; Carrier mobility; Biaxial strains

Funding

  1. Scientific and Technological Research Program of Chongqing Municipal Education Commission [KJ1501303, KJ1601321, KJ1601311]
  2. Chongqing Research Program of Basic Research and Frontier Technology [cstc2016jcyjA0232]

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Through theoretical calculations, we investigate the structure stability, elastic property and carrier mobility of Arsenene. Using phonon spectra and elastic constant, we verify the dynamic stability and mechanical stability of Arsenene. Based on the stable structure, we study the elastic property and carrier mobility. The bulk modulus, shear modulus, Young's modulus, Poisson's ratio are calculated. Finally, the Shear anisotropy, Vicker hardness, Debye temperature, melting point and thermal conductivity have been predicted. According to deformation potential theory, under different strain and temperature, the electron mobility and relaxation time are also calculated. (C) 2016 Elsevier Ltd. All rights reserved.

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