Please use this identifier to cite or link to this item:
Title: Stability and electronic properties of carbon nanotubes doped with transition metal impurities
Authors: Azevedo, S.
Azevedo, S.
Feitosa, Carlos Chesman de Araújo
Kaschny, J.R.
Kaschny, J.R.
Keywords: Zigzag carbon nanotubes
Issue Date: 23-Feb-2010
Publisher: SPRINGER
Citation: 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: Acesso em: 18 mai. 2020. DOI: 10.1140/epjb/e2010-00066-9
Portuguese Abstract: 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
Appears in Collections:CCET - DFTE - Artigos publicados em periódicos

Files in This Item:
File Description SizeFormat 
StabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdfChesman_2010.pdf375,62 kBAdobe PDFThumbnail

This item is licensed under a Creative Commons License Creative Commons