Issue 38, 2018

First-principles calculations of the electronic properties of SiC-based bilayer and trilayer heterostructures

Abstract

Recently, van der Waals (vdW) two-dimensional heterostructures have attracted great attention. The combination structures demonstrate unique properties that individual layers do not possess, which foretell promising future applications. Here, we investigate the structural and electronic properties of SiC/graphene, SiC/MoS2, and graphene/SiC/MoS2 vdW heterostructures using first-principles calculations. The SiC/graphene interface forms a p-type Schottky contact, which can be turned into an n-type Schottky contact by applying an external electric field. Moreover, a transition from a Schottky to an Ohmic contact at the interface can be triggered by varying the interlayer distance or applying an external electric field. The SiC/MoS2 interface forms a type-II heterostructure, in which the recombination of photoexcited charges will be greatly suppressed. The transition from type-II to type-III band alignment can be realized in the SiC/MoS2 heterostructure by applying a biaxial strain. This heterostructure also shows excellent optical absorption abilities in the visible and far-infrared range, which merits its application as a photocatalyst. The trilayer heterostructure exhibits a tunable Schottky barrier with different stacking patterns and the assembled graphene could act as a protective encapsulating layer on SiC/MoS2. The results show that graphene and MoS2 can tune and improve the electronic performance of SiC and demonstrate the promising application of SiC-based heterostructures for nanoelectronics and nanophotonics.

Graphical abstract: First-principles calculations of the electronic properties of SiC-based bilayer and trilayer heterostructures

Supplementary files

Article information

Article type
Paper
Submitted
04 Jun 2018
Accepted
31 Aug 2018
First published
03 Sep 2018

Phys. Chem. Chem. Phys., 2018,20, 24726-24734

First-principles calculations of the electronic properties of SiC-based bilayer and trilayer heterostructures

S. Li, M. Sun, J. Chou, J. Wei, H. Xing and A. Hu, Phys. Chem. Chem. Phys., 2018, 20, 24726 DOI: 10.1039/C8CP03508C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements