Stability and electronic properties of carbon nanotubes doped with transition metal impurities

We apply first-principles method to investigate the effect of the diameter on the stability and electronic properties of zigzag carbon nanotubes doped with iron, nickel and manganese impurity atoms. In this contribution we follow the evolution of the electronic and structural properties as a funct...

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Principais autores:	Azevedo, S., Feitosa, Carlos Chesman de Araújo, Kaschny, J.R.
Formato:	article
Idioma:	English
Publicado em:	SPRINGER
Assuntos:	Zigzag carbon nanotubes
Endereço do item:	https://repositorio.ufrn.br/jspui/handle/123456789/29094
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id	ri-123456789-29094
record_format	dspace
spelling	ri-123456789-290942020-06-18T20:27:29Z Stability and electronic properties of carbon nanotubes doped with transition metal impurities Azevedo, S. Azevedo, S. Feitosa, Carlos Chesman de Araújo Kaschny, J.R. Kaschny, J.R. Zigzag carbon nanotubes We apply first-principles method to investigate the effect of the diameter on the stability and electronic properties of zigzag carbon nanotubes doped with iron, nickel and manganese impurity atoms. In this contribution we follow the evolution of the electronic and structural properties as a function of the nanotube diameter. As a general result, we found that the binding energy decreases with the increasing nanotube radius. Additionally, depending on the interaction of transition metal impurity with the tubular carbon structure, it is observed that the total magnetization varies with the tube diameter due to hy- bridization and confinement effects. It is also shown that such magnetization varies with the curvature radius, increasing for manganese impurity atoms and decreasing for iron and nickel 2020-05-29T01:15:50Z 2020-05-29T01:15:50Z 2010-02-23 article AZEVEDO, S. ; CHESMAN, C. ; KASCHNY, J. R. Stability and electronic properties of carbon nanotubes doped with transition metals impurities. European Physical Journal B, v. 74, p. 123-128, 2010. Disponível em: https://link.springer.com/article/10.1140%2Fepjb%2Fe2010-00066-9. Acesso em: 18 mai. 2020. DOI: 10.1140/epjb/e2010-00066-9 https://repositorio.ufrn.br/jspui/handle/123456789/29094 10.1140/epjb/e2010-00066-9 en Attribution-NonCommercial 3.0 Brazil http://creativecommons.org/licenses/by-nc/3.0/br/ application/pdf SPRINGER
institution	Repositório Institucional
collection	RI - UFRN
language	English
topic	Zigzag carbon nanotubes
spellingShingle	Zigzag carbon nanotubes Azevedo, S. Azevedo, S. Feitosa, Carlos Chesman de Araújo Kaschny, J.R. Kaschny, J.R. Stability and electronic properties of carbon nanotubes doped with transition metal impurities
description	We apply first-principles method to investigate the effect of the diameter on the stability and electronic properties of zigzag carbon nanotubes doped with iron, nickel and manganese impurity atoms. In this contribution we follow the evolution of the electronic and structural properties as a function of the nanotube diameter. As a general result, we found that the binding energy decreases with the increasing nanotube radius. Additionally, depending on the interaction of transition metal impurity with the tubular carbon structure, it is observed that the total magnetization varies with the tube diameter due to hy- bridization and confinement effects. It is also shown that such magnetization varies with the curvature radius, increasing for manganese impurity atoms and decreasing for iron and nickel
format	article
author	Azevedo, S. Azevedo, S. Feitosa, Carlos Chesman de Araújo Kaschny, J.R. Kaschny, J.R.
author_facet	Azevedo, S. Azevedo, S. Feitosa, Carlos Chesman de Araújo Kaschny, J.R. Kaschny, J.R.
author_sort	Azevedo, S.
title	Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_short	Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_full	Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_fullStr	Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_full_unstemmed	Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_sort	stability and electronic properties of carbon nanotubes doped with transition metal impurities
publisher	SPRINGER
publishDate	2020
url	https://repositorio.ufrn.br/jspui/handle/123456789/29094
work_keys_str_mv	AT azevedos stabilityandelectronicpropertiesofcarbonnanotubesdopedwithtransitionmetalimpurities AT azevedos stabilityandelectronicpropertiesofcarbonnanotubesdopedwithtransitionmetalimpurities AT feitosacarloschesmandearaujo stabilityandelectronicpropertiesofcarbonnanotubesdopedwithtransitionmetalimpurities AT kaschnyjr stabilityandelectronicpropertiesofcarbonnanotubesdopedwithtransitionmetalimpurities AT kaschnyjr stabilityandelectronicpropertiesofcarbonnanotubesdopedwithtransitionmetalimpurities
_version_	1773962097354342400

Stability and electronic properties of carbon nanotubes doped with transition metal impurities

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