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Interlayer coupling and electric field tunable electronic properties and Schottky barrier in graphene/bilayer-GaSe van der Waals heterostructure

Abstract

In this work, using density functional theory we investigated systematically the electronic properties and Schottky barrier modulation in a multilayer graphene/bilayer-GaSe heterostructure by varying the interlayer spacing and by applying an external electric field. At the equilibrium state, the graphene is bound to bilayer-GaSe by a weak van der Waals interaction with the interlayer distance $d$ of 3.40~{\AA} with the binding energy per carbon atom of $-37.71$~meV. The projected band structure of the graphene/bilayer-GaSe heterostructure appears as a combination of each band structure of graphene and bilayer-GaSe. Moreover, a tiny band gap of about 10~meV is opened at the Dirac point in the graphene/bilayer-GaSe heterostructure due to the sublattice symmetry breaking. The band gap opening in graphene makes it potential application in nanoeleclectronic and optoelectronic devices. The graphene/bilayer-GaSe heterostructure forms an $n$-type Schottky contact with the Schottky barrier height of 0.72~eV at the equilibrium interlayer spacing. Furthermore, a transformation from the $n$-type to $p$-type Schottky contact could be performed by decreasing the interlayer distance or by applying electric field. This transformation is observed when the interlayer distance is smaller than 3.30~{\AA}, or when the applied positive external electric field is larger than 0.0125~V/{\AA}. These results are very important for designing new electronic Schottky devices based on graphene and other 2D semiconductors such as graphene/bilayer-GaSe heterostructure.

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Publication details

The article was received on 06 Apr 2018, accepted on 12 Jun 2018 and first published on 12 Jun 2018


Article type: Paper
DOI: 10.1039/C8CP02190B
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Interlayer coupling and electric field tunable electronic properties and Schottky barrier in graphene/bilayer-GaSe van der Waals heterostructure

    H. Phuc, H. Nguyen, B. D. Hoi and C. Nguyen, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP02190B

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