The interaction of germanene, the germanium counterpart of graphene, with (0001)ZnSe surfaces is investigated theoretically, using first-principles simulations. On a non-reconstructed (0001) ZnSe surface, germanene is predicted to be metallic, due to the pinning of the Fermi level by Se surface states. On a reconstructed (0001)ZnSe surface, which should be more energetically stable for very thin layers, the germanene layer is found to be semiconducting, with an energy band gap of about 0.4 eV. Remarkably, the nature (indirect or direct) and magnitude of this energy band gap can be controlled by an out-of-plane electric field, a semiconductor to metal transition being predicted for electric fields larger than about 0.6 V/Å. © The Electrochemical Society.

Houssa, M., Scalise, E., Van Den Broek, B., Pourtois, G., Afanas'Ev, V., Stesmans, A. (2013). Interaction of germanene with (0001)ZnSe surfaces: A theoretical study. ECS TRANSACTIONS, 58(7), 209-215 [10.1149/05807.0209ecst].

Interaction of germanene with (0001)ZnSe surfaces: A theoretical study

Scalise E.;
2013

Abstract

The interaction of germanene, the germanium counterpart of graphene, with (0001)ZnSe surfaces is investigated theoretically, using first-principles simulations. On a non-reconstructed (0001) ZnSe surface, germanene is predicted to be metallic, due to the pinning of the Fermi level by Se surface states. On a reconstructed (0001)ZnSe surface, which should be more energetically stable for very thin layers, the germanene layer is found to be semiconducting, with an energy band gap of about 0.4 eV. Remarkably, the nature (indirect or direct) and magnitude of this energy band gap can be controlled by an out-of-plane electric field, a semiconductor to metal transition being predicted for electric fields larger than about 0.6 V/Å. © The Electrochemical Society.
Articolo in rivista - Contributo a Forum/Dibattito, Introduzione
germanene, DFT, 2D materials
English
2013
58
7
209
215
none
Houssa, M., Scalise, E., Van Den Broek, B., Pourtois, G., Afanas'Ev, V., Stesmans, A. (2013). Interaction of germanene with (0001)ZnSe surfaces: A theoretical study. ECS TRANSACTIONS, 58(7), 209-215 [10.1149/05807.0209ecst].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/241741
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