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Two-Dimensional Indium Selenides Compounds: An Ab Initio Study

Abstract : We use first-principle calculations to investigate the electronic structure of InSe and In2Se3. The interlayer binding energy is found to be in the same range as for other 2D systems, and the monolayers are found to be dynamically stable, which suggest the possibility to obtain them as isolated layers. The GW approximation including spin-orbit is used to obtain the bandgaps, which are in the range relevant for application in electronics. Also, it is shown that an electric field perpendicular to the layers can induce a semiconductor to metal transition in this family of compounds.
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Submitted on : Friday, May 12, 2017 - 12:06:13 PM
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Lamjed Debbichi, O. Eriksson, Sébastien Lebègue. Two-Dimensional Indium Selenides Compounds: An Ab Initio Study. Journal of Physical Chemistry Letters, 2015, 6 (15), pp.3098-3103. ⟨10.1021/acs.jpclett.5b01356⟩. ⟨hal-01521784⟩



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