Exploring semiconductor substrates for silicene epitaxy

We have carried out first-principles density functional theory based calculations on electronic properties of silicene monolayer on various (111) semi-conducting surfaces. We find that the relative stability and other properties of the silicene overlayer depend sensitively on whether the interacting top layer of the substrate is metal or non-metal terminated. The nature of silicene-monolayer on the metal terminated surface can be metallic or even magnetic, depending upon the choice of the substrate. The silicene overlayer undergoes n-type doping on metal terminated surface while it undergoes p-type doping on nonmetal terminated surfaces of the semiconductor substrates. (C) 2013 AIP Publishing LLC.