Study of the Influence of Structural Defects on Mechanical and Electrical Properties of β_12 Borophene

Document Type : Full length research Paper

Authors

1 epartment of Physics, Computational nanolab, University of Guilan, Iran

2 Department of Physics, Computational Nanolab, University of Guilan, Iran.

3 Department of Physics, Computational Nanophysics Laboratory (CNL), University of Guilan, Po Box:41335-1914, Rasht, Iran

Abstract

Borophene is a monolayer of boron atoms with a lot allotropes. Electrical and mechanical properties of β_12 borophene is investigated using density functional theory. β_12 Borophene has an orthorhombic lattice with five boron atoms in a unit cell. We calculate critical strain and ultimate stress of the sheet. The calculated critical strain is 0.18% in x direction with ultimate stress of 18.87 N/m, while, critical strain is 10% and 12% for uniaxial strain along y and biaxial strain, respectively. Young module of the sheet is 180 N/m in x direction and 203 N/m along y one. Structural defects reduce the mechanical ability of the sheet and the reduction is strongly dependent on the position of the removed atoms and their density.

Keywords

References

 
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Journal of Research on Many-body Systems
Volume 9, Issue 3 - Serial Number 22
December 2019
Pages 40-48

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History

  • Receive Date: 11 December 2017
  • Revise Date: 07 May 2019
  • Accept Date: 07 July 2019

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