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We have carried out first-principles based DFT calculation 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 depends sensitively on whether the interacting top layer of the substrate is metal or non-metal terminated. The nature of silicene-monolayer on the metal termi- nated 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 non metal terminated surfaces of the semiconductor substrates.
Silicene, as the silicon analog of graphene, has been successfully fabricated by epitaxial growing on various substrates. Similar to free-standing graphene, free-standing silicene possesses a honeycomb structure and Dirac-cone-shaped energy band, res
We propose a guideline for exploring substrates that stabilize the monolayer honeycomb structure of silicene and germanene while simultaneously preserve the Dirac states: in addition to have a strong binding energy to the monolayer, a suitable substr
High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we performed DFT calculations to predict small reorganization energies of rectangular silicene nanoclusters with hydroge
Controlling the properties of semiconductor/metal interfaces is a powerful method for designing functionality and improving the performance of electrical devices. Recently semiconductor/superconductor hybrids have appeared as an important example whe
The direct growth of semiconductors over metals by molecular beam epitaxy is a difficult task due to the large differences in crystallization energy between these types of materials. This aspect is problematic in the context of spintronics, where coh