PMID: 11327973May 1, 2001Paper

Polarons in carbon nanotubes

Physical Review Letters
M Verissimo-AlvesHelio Chacham

Abstract

We use ab initio total-energy calculations to predict the existence of polarons in semiconducting carbon nanotubes (CNTs). We find that the CNTs' band edge energies vary linearly and the elastic energy increases quadratically with both radial and with axial distortions, leading to the spontaneous formation of polarons. Using a continuum model parametrized by the ab initio calculations, we estimate electron and hole polaron lengths, energies, and effective masses and analyze their complex dependence on CNT geometry. Implications of polaron effects on recently observed electro- and optomechanical behavior of CNTs are discussed.

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Citations

Aug 5, 2004·The Journal of Chemical Physics·V R ColuciR H Baughman
Jan 15, 2009·The Journal of Chemical Physics·G L Ussery, Yu N Gartstein
Jul 23, 2004·The Journal of Chemical Physics·Vincent Robert, Jean-Paul Malrieu
Jul 30, 2002·Physical Review Letters·Yu N GartsteinR H Baughman
Jul 30, 2002·Physical Review Letters·E PiegariG Iadonisi
Mar 24, 2005·Physical Review Letters·Vasili PerebeinosPhaedon Avouris
Aug 6, 2013·Journal of Physics. Condensed Matter : an Institute of Physics Journal·N Traverso ZianiM Sassetti
May 23, 2006·Physical Review Letters·S V Ahir, E M Terentjev
Mar 10, 2012·Physical Review Letters·I Snyman, Yu V Nazarov
Dec 18, 2002·Physical Review Letters·P KeblinskiP M Ajayan
Oct 4, 2003·Physical Review Letters·Simone S AlexandreH Chacham
Jun 1, 2021·The Journal of Physical Chemistry. C, Nanomaterials and Interfaces·Zhuoran KuangTiago Buckup

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