Band engineering in a van der Waals heterostructure using a 2D polar material and a capping layer.

ABSTRACT: Van der Waals (vdW) heterostructures are expected to play a key role in next-generation electronic and optoelectronic devices. In this study, the band alignment of a vdW heterostructure with 2D polar materials was studied using first-principles calculations. As a model case study, single-sided fluorographene (a 2D polar material) on insulating (h-BN) and metallic (graphite) substrates was investigated to understand the band alignment behavior of polar materials. Single-sided fluorographene was found to have a potential difference along the out-of-plane direction. This potential difference provided as built-in potential at the interface, which shift the band alignment between h-BN and graphite. The interface characteristics were highly dependent on the interface terminations because of this

SUBMITTER: Cho SB 

PROVIDER: S-EPMC4908394 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature