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Curvature and basis function effects on electronic and transport properties of carbon nanotubes

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Complex Inorganic Solids

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Abstract

Curvature effects are shown to distinguish carbon nanotubes from graphitic carbon in qualitative ways. In particular, bonding geometries and magnetic moments are found to be sensitively dependent on curvature. Furthermore, our work also reveals that use of full orbital basis set is necessary for realistic calculations of quantum conductance of carbon nanotubes.

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Author information

Authors and Affiliations

  1. Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas, P.O. Box 1527, 71110, Heraklio, Crete, Greece

    Antonis N. Andriotis

  2. Center for Computational Sciences, University of Kentucky, 325 McVey Hall, Lexington, KY, 40506, USA

    Madhu Menon

Authors
  1. Antonis N. Andriotis
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  2. Madhu Menon
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Editor information

Editors and Affiliations

  1. Lawrence National Laboratory, Livermore, California

    Patrice E. A. Turchi , Antonios Gonis  & Annemarie Meike ,  & 

  2. Materials Science and Engineering Department and Information Technology Program, Rensselaer Polyechnic Institute, Troy, New York

    Krishna Rajan

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Andriotis, A.N., Menon, M. (2005). Curvature and basis function effects on electronic and transport properties of carbon nanotubes. In: Turchi, P.E.A., Gonis, A., Rajan, K., Meike, A. (eds) Complex Inorganic Solids. Springer, Boston, MA. https://doi.org/10.1007/0-387-25953-8_19

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