Strain induced tunable band gap and optical properties of graphene on hexagonal boron nitride

Fuente: arXiv
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Main Authors: Sinha, Priyanka, Panigrahi, Prasanta K., Chittari, Bheemalingam
Format: Preprint
Published: 2024
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author Sinha, Priyanka
Panigrahi, Prasanta K.
Chittari, Bheemalingam
author_facet Sinha, Priyanka
Panigrahi, Prasanta K.
Chittari, Bheemalingam
contents In this study, we highlight the potential of strain engineering in graphene/hBN (hexagonal Boron nitride) 2D heterostructures, enabling their use as wide-range light absorbers with significant implications for optoelectronic applications. We systematically investigate the electronic and optical properties of graphene/hBN under the application of strain, considering various stacking geometries within the framework of density-functional theory. The semimetallic graphene layer upon aligning on the insulating hexagonal boron nitride sheet opens a few tens of meV band gap at the Dirac point due to the induced on-site energy differences on the two sublattices of graphene. Here, we demonstrate that by simultaneously tuning the interlayer distance and lattice constant, this band gap can be significantly increased to 1 eV. Interestingly, in both scenarios (small and large band gaps), the material undergoes a transition from a semiconductor to a semimetallic state. Importantly, the tunability of this band gap is strongly influenced by the specific stacking configuration. We further explored the optical properties across a broad spectrum, revealing that the presence of a strain-induced band gap fundamentally alters how light interacts with the system.
format Preprint
id arxiv_https___arxiv_org_abs_2407_11140
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Strain induced tunable band gap and optical properties of graphene on hexagonal boron nitride
Sinha, Priyanka
Panigrahi, Prasanta K.
Chittari, Bheemalingam
Mesoscale and Nanoscale Physics
In this study, we highlight the potential of strain engineering in graphene/hBN (hexagonal Boron nitride) 2D heterostructures, enabling their use as wide-range light absorbers with significant implications for optoelectronic applications. We systematically investigate the electronic and optical properties of graphene/hBN under the application of strain, considering various stacking geometries within the framework of density-functional theory. The semimetallic graphene layer upon aligning on the insulating hexagonal boron nitride sheet opens a few tens of meV band gap at the Dirac point due to the induced on-site energy differences on the two sublattices of graphene. Here, we demonstrate that by simultaneously tuning the interlayer distance and lattice constant, this band gap can be significantly increased to 1 eV. Interestingly, in both scenarios (small and large band gaps), the material undergoes a transition from a semiconductor to a semimetallic state. Importantly, the tunability of this band gap is strongly influenced by the specific stacking configuration. We further explored the optical properties across a broad spectrum, revealing that the presence of a strain-induced band gap fundamentally alters how light interacts with the system.
title Strain induced tunable band gap and optical properties of graphene on hexagonal boron nitride
topic Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2407.11140