Interlayer distance effect on electronic properties and electrical conductivity of AA-stacked bilayer antimonene sheets

摘要

The electronic properties and electrical conductivity of AA-stacked bilayer flat and buckled antimonene sheets are studied under the effect of change in the interlayer distance starting from an experimental value of 1.87 Å. This theoretical study is conducting by first-principles calculations that allow us to analyze the data and give a physical justification for the studied quantities. The energy band gap is estimating for different interlayer distances. For bilayer flat antimonene. It is close to zero as graphene. However, the bilayer buckled antimonene energy gap is nearly independent of interlayer distance. The electrical transport constants are determined using the BoltzTraP code based on the Boltzmann transport equation (BTE) consider that the time relaxation is constant. The studied electrical conductivity over the relaxation time in terms of temperature results show the highest electrical conductivity corresponding to the narrower band gap. This result has an agreement with graphene conductivities. On the other side, bilayer flat with h=7.73 Å, and buckled antimonene electrical conductivities are six and three times larger than the single-layer conductivities, respectively.