Tunable MoS{sub 2} bandgap in MoS{sub 2}-graphene heterostructures

Journal Article · Mon Jul 21 00:00:00 EDT 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4891430· OSTI ID:22311127

Ebnonnasir, Abbas ^[1]; Narayanan, Badri; Kodambaka, Suneel ^[2]

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1. Department of Mechanical Engineering and Materials Science Program, Colorado School of Mines, Golden, Colorado 80401 (United States)
2. Department of Materials Science and Engineering, University of California Los Angeles, Los Angeles, California 90095 (United States)

Using density functional theory calculations with van der Waals corrections, we investigated how the interlayer orientation affects the structure and electronic properties of MoS{sub 2}-graphene bilayer heterostructures. Changing the orientation of graphene with respect to MoS{sub 2} strongly influences the type and the value of the electronic bandgap in MoS{sub 2}, while not significantly altering the binding energy between the layers or the interlayer spacing. We show that the physical origin of this tunable bandgap arises from variations in the S–S interplanar distance (MoS{sub 2} thickness) with the interlayer orientation, variations which are caused by electron transfer away from the Mo–S bonds.

• OSTI ID: 22311127
• Journal Information: Applied Physics Letters, Vol. 105, Issue 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BINDING ENERGY
CORRECTIONS
CRYSTAL STRUCTURE
DENSITY FUNCTIONAL METHOD
ELECTRICAL PROPERTIES
ELECTRON TRANSFER
GRAPHENE
LAYERS
MOLYBDENUM SULFIDES
ORIENTATION
THICKNESS
VAN DER WAALS FORCES