Layers of planar hexagonal heterostructure modeled by quantum graphs

Osmar N. Souza

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arXiv · 2405.15029

Layers of planar hexagonal heterostructure modeled by quantum graphs

Osmar N. Souza

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Abstract

The work presents a study on the quantum theory of periodic graphs applied to mono- and bilayer hexagonal materials. Different parameters associated with the atoms present at the vertices of these materials were analyzed, verifying the existence of gaps in the spectral bands and expressing the width of these openings according to the parameters. The study was extended to heterostructures with mixed layers and "sandwiches" of graphene and hexagonal boron nitride. The dispersion relationships obtained in these models were analyzed and it was concluded that the inclusion of hBN layers on graphene layers can induce a gap in the graphene. Furthermore, it was observed that the inclusion of a single layer of graphene between two layers of hBN reduces the width of the spectral gap. The interaction between carbon atoms and nitrogen and boron atoms was pointed out as responsible for these results. Finally, the inclusion of a magnetic field in the hBN layer was considered, demonstrating that specific values of magnetic flux can eliminate conical touches in the dispersion relation of the operator and ensure the existence of gaps.

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Osmar N. Souza. 2024-05-27. Layers of planar hexagonal heterostructure modeled by quantum graphs. https://arxiv.org/abs/2405.15029

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