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Hauptverfasser: Vieira, Anderson Gomes, Júnior, Marcelo Lopes Pereira, Meunier, Vincent, Girão, Eduardo Costa
Format: Preprint
Veröffentlicht: 2023
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Online-Zugang:https://arxiv.org/abs/2312.08503
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author Vieira, Anderson Gomes
Júnior, Marcelo Lopes Pereira
Meunier, Vincent
Girão, Eduardo Costa
author_facet Vieira, Anderson Gomes
Júnior, Marcelo Lopes Pereira
Meunier, Vincent
Girão, Eduardo Costa
contents A rectangular graphyne sheet is composed of units similar to phenyl rings that are linked by acetylenic chains, as in hexagonal $γ$-graphyne. This system is organized over a rectangular lattice similar to that of the recently synthesized biphenylene network. We investigate the stability of this sheet from different perspectives and study its electronic structure. Rectangular graphyne is a semiconducting system in its pristine form and features a pair of highly localized states. These characteristics are correlated with the structural anisotropy of the system, since its frontier states behave like quasi--1D states embedded in the 2D lattice. We further consider modified systems in which longer acetylenic links are introduced. We discuss how a strategic choice of the position of these longer bridges can lead to specific changes of the electronic structure of the rectangular graphyne sheet.
format Preprint
id arxiv_https___arxiv_org_abs_2312_08503
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Electronic properties of two-dimensional rectangular graphyne based on phenyl-like building blocks
Vieira, Anderson Gomes
Júnior, Marcelo Lopes Pereira
Meunier, Vincent
Girão, Eduardo Costa
Materials Science
A rectangular graphyne sheet is composed of units similar to phenyl rings that are linked by acetylenic chains, as in hexagonal $γ$-graphyne. This system is organized over a rectangular lattice similar to that of the recently synthesized biphenylene network. We investigate the stability of this sheet from different perspectives and study its electronic structure. Rectangular graphyne is a semiconducting system in its pristine form and features a pair of highly localized states. These characteristics are correlated with the structural anisotropy of the system, since its frontier states behave like quasi--1D states embedded in the 2D lattice. We further consider modified systems in which longer acetylenic links are introduced. We discuss how a strategic choice of the position of these longer bridges can lead to specific changes of the electronic structure of the rectangular graphyne sheet.
title Electronic properties of two-dimensional rectangular graphyne based on phenyl-like building blocks
topic Materials Science
url https://arxiv.org/abs/2312.08503