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Updated: Apr 15, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Modulation of band gap by an applied electric field in silicene-based hetero-bilayers
Sandeep Nigam1, Sanjeev K Gupta, C Majumder
1Department of Physics, Michigan Technological University, Houghton, Michigan 49931, USA. snigam.jpr@gmail.com pandey@mtu.edu.
Abstract:
Electronic properties of the hetero-structures consisting of silicene, graphene and BN monolayers under the influence of an electric field were investigated using density functional theory. With no electric field, both silicene/graphene and silicene/BN were shown to have a finite gap of about ∼50 meV, though silicene is a zero-gap two-dimensional material. Application of the field perpendicular to the bilayer system was found to facilitate modulation of the band gap, exhibiting an approximately linear relationship with the gap energy, in contrast to what was seen for the constituent monolayers. Also, the degree of the modulation was mainly determined by the Si-pz electronic states at the interface of the silicene/graphene and silicene/BN bilayers.
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