Jump to main content
Jump to site search


Design Rule for Two-Dimensional van der Waals Heterostructures with Unconventional Band Alignments

Abstract

The energetic alignment of band edges at interface play a central role in determining the properties and applications of two-dimensional (2D) van der Waals (vdW) heterostructures. Generally, three conventional heterojunction types (type-I, type-II, and type-III) have widely been investigated and used in diverse fields. Unconventional band alignments (type-IV, type-V, and type-VI) are, however, hitherto unreported in the vdW heterostructures. We find that 2D binary semiconductors composed of group IV-V elements manifest a similar electronic structure, offering in principle the possibility of designing heterostructures with novel band alignments due to the hybridization of band-edge states. We first show here that 2D SiAs/GeP heterostructure exhibits a type-VI band alignment, which is induced by the interlayer pz orbitals hybridization, and a transition of band alignment from type-VI to type-V occurs when strain or electric field is applied over a critical value. The unconventional band alignments and their transition natures enable these vdW heterostructures to be of broad application in special opto-electronic devices and energy conversion.

Back to tab navigation

Supplementary files

Article information


Submitted
29 Nov 2019
Accepted
06 Jan 2020
First published
06 Jan 2020

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
Article type
Paper

Design Rule for Two-Dimensional van der Waals Heterostructures with Unconventional Band Alignments

Y. Si, H. Wu, J. Lian, W. Huang, W. Hu and G. Huang, Phys. Chem. Chem. Phys., 2020, Accepted Manuscript , DOI: 10.1039/C9CP06465F

Social activity

Search articles by author

Spotlight

Advertisements