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Updated: Nov 22, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Direct band gap and strong Rashba effect in van der Waals heterostructures of InSe and Sb single layers
Dangqi Fang1,2, Siyu Chen2, Yaqi Li1
1MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, People's Republic of China.
Atomically thin indium selenide (InSe) and antimony (Sb) bilayers form van der Waals heterostructures with a direct band gap. These structures exhibit tunable Rashba spin splitting, making them promising for spintronic and optoelectronic devices.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Nanotechnology
Background:
- Van der Waals heterostructures are gaining attention for emergent properties.
- Indium selenide (InSe) offers high electron mobility; antimony (Sb) offers high hole mobility.
Purpose of the Study:
- Investigate the stability and electronic properties of InSe/Sb bilayer heterostructures.
- Explore potential applications in spintronics and optoelectronics.
Main Methods:
- First-principles calculations.
- Analysis of electronic band structures.
- Inclusion of spin-orbit coupling (SOC).
Main Results:
- InSe/Sb heterostructures exhibit a direct band gap, irrespective of stacking.
- Significant Rashba spin splitting observed at the conduction band minimum due to SOC and symmetry breaking.
- Tunable Rashba spin splitting via strain and electric fields.
Conclusions:
- InSe/Sb bilayers are stable and possess desirable electronic properties.
- Large, tunable Rashba spin splitting suggests potential for spin field-effect transistors.
- Suitable band gap and spin properties indicate promise for optoelectronic applications.
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