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Updated: Sep 8, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Strain engineering of lateral heterostructures based on group-V enes (As, Sb, Bi) for infrared optoelectronic
Mengying Liu1, Weijie Li1, Dan Cheng1,2
1State Key Laboratory of High Power Semiconductor Lasers, School of Physics, Changchun University of Science and Technology 7089 Wei-Xing Road Changchun 130022 P. R. China fangx@cust.edu.cn wangdk@cust.edu.cn.
Abstract:
In this work, the electronic structure, and optical properties of As/Sb and Sb/Bi lateral heterostructures (LHS) along armchair and zigzag interfaces affected by strain were investigated by density functional theory. The LHSs presented strain-dependent band transformation characteristics and sensitivity features. And a reduction and transition of the bandgap was observed when the As/Sb and Sb/Bi LHS existed under compressive strain. The density of states and the conduction band minimum-valence band maximum characteristics exhibited corresponding changes under the strain. Then a spatial charge-separation phenomenon and strong optical absorption properties in the mid-infrared range can also be observed from calculated results. Theoretical research into As/Sb and Sb/Bi LHSs has laid a solid foundation for As/Sb and Sb/Bi LHS device manufacture.
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