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Updated: Mar 30, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Prediction of spin-orbital coupling effects on the electronic structure of two dimensional van der Waals
Baiqing You1, Xiaocha Wang1, Wenbo Mi2
1Tianjin Key Laboratory of Film Electronic & Communicate Devices, School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300384, China. wangxccn@126.com.
Abstract:
We report a first-principles study on the electronic structure of van der Waals (vdW) heterostructures consisting of two dimensional (2D) materials. Herewith, we focus on the effects of spin-orbital coupling (SOC) and vdW forces. It is found that all 2D vdW heterostructures can preserve the electronic structure of the isolated 2D materials in the heterostructures. The 2D vdW h-BN/G and h-BN/BP heterostructures show the n-type Schottky barriers. The MoS2/G heterostructures show the p-type doping and a strong spin splitting due to SOC, which are the important features that provide a promising future for the application in electronics, optoelectronics and spin-filter devices.
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