Transport properties of single vacancies in nanotubes


Autoria(s): Rocha, Alexandre Reily; Sousa, José Eduardo Padilha de; Fazzio, Adalberto; Silva, Antonio Jose Roque da
Contribuinte(s)

UNIVERSIDADE DE SÃO PAULO

Data(s)

18/04/2012

18/04/2012

2008

Resumo

We present density of states and electronic transport calculations of single vacancies in carbon nanotubes. We confirm that the defect reconstructs into a pentagon and a nonagon, following the removal of a single carbon atom. This leads to the formation of a dangling bond. Finally, we demonstrate that care must be taken when calculating the density of states of impurities in one-dimensional systems in general. Traditional treatments of these systems using periodic boundary conditions leads to the formation of minigaps even in the limit of large unit cells.

Identificador

PHYSICAL REVIEW B, v.77, n.15, 2008

1098-0121

http://producao.usp.br/handle/BDPI/16268

10.1103/PhysRevB.77.153406

http://dx.doi.org/10.1103/PhysRevB.77.153406

Idioma(s)

eng

Publicador

AMER PHYSICAL SOC

Relação

Physical Review B

Direitos

restrictedAccess

Copyright AMER PHYSICAL SOC

Palavras-Chave #WALLED CARBON NANOTUBES #QUANTUM CONDUCTANCE #DEFECTS #ELECTRON #SENSORS #GAS #Physics, Condensed Matter
Tipo

article

original article

publishedVersion