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

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.