Enhancement of electron-nuclear hyperfine interaction at lattice defects in semiconducting single-walled carbon nanotubes studied by ab initio density functional theory calculations

V. Zólyomi, V. Ivády, A. Gali

Research output: Contribution to journalArticle

Abstract

We present a first principles study of the electron-nuclear hyperfine-interaction (HF) in achiral single-walled carbon nanotubes (SWCNTs). We show that while HF coupling is small in perfect nanotubes, it is significantly enhanced near lattice defects such as vacancies and Stone-Wales pairs. The enhancement of hyperfine coupling near the defects varies considerably in different nanotubes which might pave the way to simultaneously identifying the chirality of carbon nanotubes and the defects inside them by sophisticated magnetic resonance techniques. Charged vacancy is proposed as a candidate for solid state qubit in semiconducting SWCNTs.

Original languageEnglish
Article number235433
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume86
Issue number23
DOIs
Publication statusPublished - Dec 19 2012

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Crystal defects
Single-walled carbon nanotubes (SWCN)
Nanotubes
Vacancies
Density functional theory
carbon nanotubes
density functional theory
Defects
Carbon Nanotubes
Electrons
augmentation
Chirality
nanotubes
defects
Magnetic resonance
Carbon nanotubes
Wales
electrons
interactions
chirality

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

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