Issue 11, 2013

An electric field tunable energy band gap at silicene/(0001) ZnS interfaces

Abstract

The interaction of silicene, the silicon counterpart of graphene, with (0001) ZnS surfaces is investigated theoretically, using first-principles simulations. The charge transfer occurring at the silicene/(0001) ZnS interface leads to the opening of an indirect energy band gap of about 0.7 eV in silicene. Remarkably, the nature (indirect or direct) and magnitude of the energy band gap of silicene can be controlled by an external electric field: the energy gap is predicted to become direct for electric fields larger than about 0.5 V Å−1, and the direct energy gap decreases approximately linearly with the applied electric field. The predicted electric field tunable energy band gap of the silicene/(0001) ZnS interface is very promising for its potential use in nanoelectronic devices.

Graphical abstract: An electric field tunable energy band gap at silicene/(0001) ZnS interfaces

Article information

Article type
Communication
Submitted
09 Nov 2012
Accepted
28 Jan 2013
First published
29 Jan 2013

Phys. Chem. Chem. Phys., 2013,15, 3702-3705

An electric field tunable energy band gap at silicene/(0001) ZnS interfaces

M. Houssa, B. van den Broek, E. Scalise, G. Pourtois, V. V. Afanas'ev and A. Stesmans, Phys. Chem. Chem. Phys., 2013, 15, 3702 DOI: 10.1039/C3CP50391G

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