Spontaneous polarization and piezoelectricity in boron nitride nanotubes

S. M. Nakhmanson, A. Calzolari, V. Meunier, J. Bernholc, and M. Buongiorno Nardelli
Phys. Rev. B 67, 235406 – Published 10 June 2003
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Abstract

Ab initio calculations of the spontaneous polarization and piezoelectric properties of boron nitride nanotubes show that they are excellent piezoelectric systems with response values larger than those of piezoelectric polymers. The intrinsic chiral symmetry of the nanotubes induces an exact cancellation of the total spontaneous polarization in ideal, isolated nanotubes of arbitrary indices. Breaking of this symmetry by intertube interaction or elastic deformations induces spontaneous polarization comparable to those of wurtzite semiconductors.

  • Received 21 February 2003

DOI:https://doi.org/10.1103/PhysRevB.67.235406

©2003 American Physical Society

Authors & Affiliations

S. M. Nakhmanson1,*, A. Calzolari2, V. Meunier1,3, J. Bernholc1,3, and M. Buongiorno Nardelli1,3,†

  • 1Department of Physics, North Carolina State University, Raleigh, North Carolina 27695, USA
  • 2INFM, National Research Center on nanoStructures and bioSystems at Surfaces (S3) and Dipartimento di Fisica, Università di Modena e Reggio Emilia, Modena, Italy
  • 3Center for Computational Sciences (CCS) and Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennesse 37830, USA

  • *Electronic address: nakhmans@nemo.physics.ncsu.edu
  • Electronic address: mbnardelli@ncsu.edu

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Vol. 67, Iss. 23 — 15 June 2003

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