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Issue 11, 2013
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An electric field tunable energy band gap at silicene/(0001) ZnS interfaces

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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

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Publication details

The article was received on 09 Nov 2012, accepted on 28 Jan 2013 and first published on 29 Jan 2013


Article type: Communication
DOI: 10.1039/C3CP50391G
Phys. Chem. Chem. Phys., 2013,15, 3702-3705

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    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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