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Electronic Structure and Properties of Deformed Carbon NanotubesA theoretical framework based on Huckel tight-binding model has been formulated to analyze the electronic structure of carbon nanotubes under uniform deformation. The model successfully quantifies the dispersion relation, density of states and bandgap change of nanotubes under uniform stretching, compression, torsion and bending. Our analysis shows that the shifting of the Fermi point away from the Brillouin zone vertices is the key reason for these changes. As a result of this shifting, the electronic structure of deformed carbon nanotubes varies dramatically depending on their chirality and deformation mode. Treating the Fermi point as a function of strain and tube chirality, the analytical solution preserves the concise form of undeformed carbon nanotubes. It predicts the shifting, merging and splitting of the Van Hove singularities in the density of states and the zigzag pattern of bandgap change under strains. Four orbital tight-binding simulations of carbon nanotubes under uniform stretching, compression, torsion and bending have been performed to verify the analytical solution. Extension to more complex systems are being performed to relate this analytical solution to the spectroscopic characterization, device performance and proposed quantum structures induced by the deformation. The limitations of this model will also be discussed.
Document ID
20010095452
Acquisition Source
Ames Research Center
Document Type
Conference Paper
Authors
Yang, Liu
(NASA Ames Research Center Moffett Field, CA United States)
Arnold, Jim
Date Acquired
August 20, 2013
Publication Date
January 26, 2001
Subject Category
Solid-State Physics
Meeting Information
Meeting: Meeting of the American Physical Society
Country: Unknown
Start Date: March 1, 2001
Sponsors: American Physical Society
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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