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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
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Energy Gaps in BN/GNRs Planar Heterostructure.
Jinyue Guan1,2, Lei Xu1,2
1Xinjiang Key Laboratory of Solid State Physics and Devices, Xinjiang University, Urumqi 830046, China.
Materials (Basel, Switzerland)
|September 10, 2021
Summary
This study investigates boron nitride/graphene nanoribbon heterostructures, finding that nanoribbon width significantly impacts band gaps. Local potentials can tune these band gaps, enabling semiconductor-to-metal transitions.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Boron nitride (BN) and graphene nanoribbons (GNRs) are key materials in advanced electronics.
- Heterostructures offer tunable electronic properties.
Purpose of the Study:
- To investigate the electronic band gaps of BN/GNR planar heterostructures.
- To understand the influence of GNR width and local potentials on band gaps.
Main Methods:
- Tight-binding approach for electronic structure calculations.
- Simulation of armchair and zigzag GNRs embedded in BN sheets.
Main Results:
- BN sheet width has minimal effect on heterostructure band gaps.
- Armchair GNR band gaps oscillate and decrease with increasing width (nA).
- Zigzag GNR band gaps gradually decrease with increasing width (nZ).
- Local potentials induce semiconductor-to-metal phase transitions.
Conclusions:
- Band gaps in BN/GNR heterostructures are tunable via GNR width and local potentials.
- These findings are crucial for designing novel electronic devices.
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