Bandgap oscillation in quasiperiodic (BN)xCy nanotubes

In the present contribution, we apply first-principles calculations to study the effects of quasiperiodic disorder on the physical properties of BN and C nanotubes. We take BN nanotubes (BNNTs) and C nanotubes (CNTs) as building blocks and construct quasiperiodic BNxCy nanotubes according to the Fib...

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Principais autores: Freitas, Aliliane Almeida de, Bezerra, Claudionor Gomes, Azevedo, Sérgio, Machado, Leonardo Dantas, Pedreira, Danilo Oliveira
Formato: article
Idioma:English
Publicado em: Elsevier
Assuntos:
Nanotubes
Bandgap oscillation
Endereço do item:https://repositorio.ufrn.br/jspui/handle/123456789/29475
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spelling ri-123456789-294752020-07-12T07:49:40Z Bandgap oscillation in quasiperiodic (BN)xCy nanotubes Freitas, Aliliane Almeida de Bezerra, Claudionor Gomes Azevedo, Sérgio Machado, Leonardo Dantas Pedreira, Danilo Oliveira Nanotubes Bandgap oscillation In the present contribution, we apply first-principles calculations to study the effects of quasiperiodic disorder on the physical properties of BN and C nanotubes. We take BN nanotubes (BNNTs) and C nanotubes (CNTs) as building blocks and construct quasiperiodic BNxCy nanotubes according to the Fibonacci sequence. We studied armchair and zigzag nanotubes of varying diameters. Our results demonstrate that the energy gap oscillates as a function of the n-generation index of the Fibonacci sequence. Moreover, we show that the choice of the BNNTs and CNTs may lead to a quasiperiodic BNxCy nanotube presenting an adjustable energy gap. We obtained a variety of quasiperiodic nanotubes with energy gaps ranging from 0.29 eV to 1.06 eV, which may be of interest for specific technological applications. Finally, it is also demonstrated that the specific heat of the quasiperiodic zigzag and armchair nanotubes presents an oscillatory behavior in the low temperature regime, and that this behavior depends on the curvature of the nanotube 2020-07-07T13:35:01Z 2020-07-07T13:35:01Z 2016-12 article FREITAS, A.; BEZERRA, C.G.; AZEVEDO, S.; MACHADO, L.D.; PEDREIRA, D.O.. Bandgap oscillation in quasiperiodic (BN)xCy nanotubes. Solid State Communications., v. 248, p. 32-42, 2016. Disponível em: https://www.sciencedirect.com/science/article/pii/S0038109816302344?via%3Dihub. Acesso em: 06 jul. 2020. https://doi.org/10.1016/j.ssc.2016.09.004 0038-1098 https://repositorio.ufrn.br/jspui/handle/123456789/29475 10.1016/j.ssc.2016.09.004 en Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ application/pdf Elsevier
institution Repositório Institucional
collection RI - UFRN
language English
topic Nanotubes
Bandgap oscillation
spellingShingle Nanotubes
Bandgap oscillation
Freitas, Aliliane Almeida de
Bezerra, Claudionor Gomes
Azevedo, Sérgio
Machado, Leonardo Dantas
Pedreira, Danilo Oliveira
Bandgap oscillation in quasiperiodic (BN)xCy nanotubes
description In the present contribution, we apply first-principles calculations to study the effects of quasiperiodic disorder on the physical properties of BN and C nanotubes. We take BN nanotubes (BNNTs) and C nanotubes (CNTs) as building blocks and construct quasiperiodic BNxCy nanotubes according to the Fibonacci sequence. We studied armchair and zigzag nanotubes of varying diameters. Our results demonstrate that the energy gap oscillates as a function of the n-generation index of the Fibonacci sequence. Moreover, we show that the choice of the BNNTs and CNTs may lead to a quasiperiodic BNxCy nanotube presenting an adjustable energy gap. We obtained a variety of quasiperiodic nanotubes with energy gaps ranging from 0.29 eV to 1.06 eV, which may be of interest for specific technological applications. Finally, it is also demonstrated that the specific heat of the quasiperiodic zigzag and armchair nanotubes presents an oscillatory behavior in the low temperature regime, and that this behavior depends on the curvature of the nanotube
format article
author Freitas, Aliliane Almeida de
Bezerra, Claudionor Gomes
Azevedo, Sérgio
Machado, Leonardo Dantas
Pedreira, Danilo Oliveira
author_facet Freitas, Aliliane Almeida de
Bezerra, Claudionor Gomes
Azevedo, Sérgio
Machado, Leonardo Dantas
Pedreira, Danilo Oliveira
author_sort Freitas, Aliliane Almeida de
title Bandgap oscillation in quasiperiodic (BN)xCy nanotubes
title_short Bandgap oscillation in quasiperiodic (BN)xCy nanotubes
title_full Bandgap oscillation in quasiperiodic (BN)xCy nanotubes
title_fullStr Bandgap oscillation in quasiperiodic (BN)xCy nanotubes
title_full_unstemmed Bandgap oscillation in quasiperiodic (BN)xCy nanotubes
title_sort bandgap oscillation in quasiperiodic (bn)xcy nanotubes
publisher Elsevier
publishDate 2020
url https://repositorio.ufrn.br/jspui/handle/123456789/29475
work_keys_str_mv AT freitasalilianealmeidade bandgaposcillationinquasiperiodicbnxcynanotubes
AT bezerraclaudionorgomes bandgaposcillationinquasiperiodicbnxcynanotubes
AT azevedosergio bandgaposcillationinquasiperiodicbnxcynanotubes
AT machadoleonardodantas bandgaposcillationinquasiperiodicbnxcynanotubes
AT pedreiradanilooliveira bandgaposcillationinquasiperiodicbnxcynanotubes
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