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On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure

Employing density functional theory calculations, we obtain the possibility of fine-tuning the bandgap in graphene deposited on the hexagonal boron nitride and graphitic carbon nitride substrates. We found that the graphene sheet located on these substrates possesses the semiconducting gap, and unif...

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Autores principales: Katin, Konstantin P., Maslov, Mikhail M., Krylov, Konstantin S., Mur, Vadim D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7589726/
https://www.ncbi.nlm.nih.gov/pubmed/33096673
http://dx.doi.org/10.3390/ma13204683
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author Katin, Konstantin P.
Maslov, Mikhail M.
Krylov, Konstantin S.
Mur, Vadim D.
author_facet Katin, Konstantin P.
Maslov, Mikhail M.
Krylov, Konstantin S.
Mur, Vadim D.
author_sort Katin, Konstantin P.
collection PubMed
description Employing density functional theory calculations, we obtain the possibility of fine-tuning the bandgap in graphene deposited on the hexagonal boron nitride and graphitic carbon nitride substrates. We found that the graphene sheet located on these substrates possesses the semiconducting gap, and uniform biaxial mechanical deformation could provide its smooth fitting. Moreover, mechanical tension offers the ability to control the Dirac velocity in deposited graphene. We analyze the resonant scattering of charge carriers in states with zero total angular momentum using the effective two-dimensional radial Dirac equation. In particular, the dependence of the critical impurity charge on the uniform deformation of graphene on the boron nitride substrate is shown. It turned out that, under uniform stretching/compression, the critical charge decreases/increases monotonically. The elastic scattering phases of a hole by a supercritical impurity are calculated. It is found that the model of a uniform charge distribution over the small radius sphere gives sharper resonance when compared to the case of the ball of the same radius. Overall, resonant scattering by the impurity with the nearly critical charge is similar to the scattering by the potential with a low-permeable barrier in nonrelativistic quantum theory.
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spelling pubmed-75897262020-10-29 On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure Katin, Konstantin P. Maslov, Mikhail M. Krylov, Konstantin S. Mur, Vadim D. Materials (Basel) Article Employing density functional theory calculations, we obtain the possibility of fine-tuning the bandgap in graphene deposited on the hexagonal boron nitride and graphitic carbon nitride substrates. We found that the graphene sheet located on these substrates possesses the semiconducting gap, and uniform biaxial mechanical deformation could provide its smooth fitting. Moreover, mechanical tension offers the ability to control the Dirac velocity in deposited graphene. We analyze the resonant scattering of charge carriers in states with zero total angular momentum using the effective two-dimensional radial Dirac equation. In particular, the dependence of the critical impurity charge on the uniform deformation of graphene on the boron nitride substrate is shown. It turned out that, under uniform stretching/compression, the critical charge decreases/increases monotonically. The elastic scattering phases of a hole by a supercritical impurity are calculated. It is found that the model of a uniform charge distribution over the small radius sphere gives sharper resonance when compared to the case of the ball of the same radius. Overall, resonant scattering by the impurity with the nearly critical charge is similar to the scattering by the potential with a low-permeable barrier in nonrelativistic quantum theory. MDPI 2020-10-21 /pmc/articles/PMC7589726/ /pubmed/33096673 http://dx.doi.org/10.3390/ma13204683 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Katin, Konstantin P.
Maslov, Mikhail M.
Krylov, Konstantin S.
Mur, Vadim D.
On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure
title On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure
title_full On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure
title_fullStr On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure
title_full_unstemmed On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure
title_short On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure
title_sort on the impact of substrate uniform mechanical tension on the graphene electronic structure
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7589726/
https://www.ncbi.nlm.nih.gov/pubmed/33096673
http://dx.doi.org/10.3390/ma13204683
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