Adjusting Schottky barrier height and enhancing diode performances in 1T-MoT2/WSeTe (MoSeTe) heterojunctions by interlayer flipping

Q Qian Liu X Xu-Dong Huang (Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,) J Jian-Ju Chen (Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,) D Dan Wu (Key Laboratory of Freshwater Fish Reproduction and Development, Ministry of Education, State Key Laboratory Breeding Base of Eco-Environments and Bio-Resources of the Three Gorges Reservoir Region, School of Life Sciences, Southwest University) X Xiao-Qing Deng (Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,) Z Zhi-Qiang Fan (Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,) H Hai-Qing Xie (Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,) K Ke-Qiu Chen (Department of Applied Physics, School of Physics and Electronics, Hunan University 3 , Changsha 410082,)

Abstract

Two-dimensional (2D) Janus materials have received significant attention due to their unique physical structure and superior electronic and optical properties. Here, we investigate the diode performance of 2D Janus WSeTe or MoSeTe vertical contact with 2D 1T-MoTe2 using ab initio quantum transport simulations. When the Te atomic layer of WSeTe or MoSeTe contacts with 1T-MoTe2 (known as type-A heterojunction), the contact interface exhibits significant Fermi level pinning (FLP), resulting in a larger Schottky barrier height (SBH). Through interlayer flipping, the Se atomic layer of WSeTe or MoSeTe comes into contact with 1T-MoTe2 (known as type-B heterojunction), FLP at the contact interface will be significantly suppressed, resulting in obvious reduction of the SBH. Therefore, Schottky diodes based on type-B heterojunction exhibit superior performances with higher rectification ratio and larger photocurrent compared to Schottky diodes based on type-A heterojunction.

Article Details

Volume / Issue Vol. 126, Issue 25
Published June 23, 2025
ISSN 0003-6951
Publisher American Institute of Physics

Journal Info

Applied Physics Letters

American Institute of Physics

ISSN: 0003-6951 Physical Sciences

Authors (8)

Q

Qian Liu

X

Xu-Dong Huang

Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,

J

Jian-Ju Chen

Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,

D

Dan Wu

Key Laboratory of Freshwater Fish Reproduction and Development, Ministry of Education, State Key Laboratory Breeding Base of Eco-Environments and Bio-Resources of the Three Gorges Reservoir Region, School of Life Sciences, Southwest University

X

Xiao-Qing Deng

Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,

Z

Zhi-Qiang Fan

Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,

H

Hai-Qing Xie

Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology 1 , Changsha 410114,

K

Ke-Qiu Chen

Department of Applied Physics, School of Physics and Electronics, Hunan University 3 , Changsha 410082,