Can silicon behave like graphene? A first-principles study

Houssa, M.; Pourtois, G.; Afanas'ev, V. V.; Stesmans, A.
September 2010
Applied Physics Letters;9/13/2010, Vol. 97 Issue 11, p112106
Academic Journal
The electronic properties of two-dimensional hexagonal silicon (silicene) are investigated using first-principles simulations. Though silicene is predicted to be a gapless semiconductor, due to the sp2-hybridization of its atomic orbitals, the weak overlapping between 3pz orbitals of neighbor Si atoms leads to a very reactive surface, resulting in a more energetically stable semiconducting surface upon the adsorption of foreign chemical species. It is predicted that silicene inserted into a graphitelike lattice, like ultrathin AlN stacks, preserves its sp2-hydridization, and hence its graphenelike electronic properties.


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