Abstract
The electronic, optical and mechanical properties of monolayer silicene at room temperature were calculated using the combination of density functional theory (DFT) and Non-Equilibrium Green’s function (NEGF) formalisms. It was found that silicene has semi metallic behaviour at 300 K. Moreover, for parallel to the xy plane polarization, the optical refraction of silicene is lower and larger than that of the germanene and graphene respectively. The shear modulus and young’s modulus of the silicene are estimated to be 0.04 TP and 0.26 TP respectively. Besides, according to the imaginary part of the dielectric function, the first intraband optical gap is 0.15 eV for 300 K and 0.2 eV for 500 K.
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