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Updated: Nov 22, 2025
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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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Substrate-Dependent Band Structures in Trilayer Graphene/h-BN Heterostructures.
Shi Che1, Petr Stepanov1, Supeng Ge2
1Department of Physics, The Ohio State University, Columbus, Ohio 43221, USA.
Physical Review Letters
|January 7, 2021
Summary
The tight-binding model
Area of Science:
- Condensed Matter Physics
- Materials Science
- Solid-State Physics
Background:
- The tight-binding model is crucial for understanding material properties.
- Hopping parameters are typically assumed constant in this model.
- Substrate effects on 2D materials are often overlooked.
Purpose of the Study:
- To investigate the variability of hopping parameters in ABA-stacked trilayer graphene.
- To explore the influence of hexagonal boron nitride (h-BN) substrate alignment on band structures.
- To examine the impact of substrate presence on electronic properties.
Main Methods:
- Utilizing ABA-stacked trilayer graphene as a model system.
- Analyzing the tight-binding model with variable hopping parameters.
- Investigating the effects of relative alignment angles with h-BN.
Main Results:
- Hopping parameters and band structures are not constant but systematically vary with h-BN alignment.
- The presence or absence of the h-BN substrate inverts the K and K' valleys in the lowest Landau level.
- Demonstrated significant substrate influence on 2D material band structures.
Conclusions:
- Substrates exert a surprising and significant impact on the band structures of 2D materials.
- Variable hopping parameters are essential for accurate modeling of such systems.
- This work challenges conventional assumptions in tight-binding modeling.
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