Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers

S. M. Nakhmanson, M. Buongiorno Nardelli, and J. Bernholc
Phys. Rev. Lett. 92, 115504 – Published 18 March 2004

Abstract

Highly piezoelectric and pyroelectric phases of boron-nitrogen-based polymers have been designed from first principles. They offer excellent electrical and structural properties, with up to 100% improvement in the piezoelectic response and an enhanced thermal stability with respect to polyvinylidene fluoride (PVDF). Since methods for their synthesis are readily available, these polymers are extremely promising for numerous technological applications, rivaling the properties of ferroelectric ceramics and superseding PVDF-based materials in high-performance devices.

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  • Received 17 November 2003

DOI:https://doi.org/10.1103/PhysRevLett.92.115504

©2004 American Physical Society

Authors & Affiliations

S. M. Nakhmanson1, M. Buongiorno Nardelli1,2, and J. Bernholc1,2

  • 1Department of Physics, North Carolina State University, Raleigh, North Carolina 27695, USA
  • 2Center for Computational Sciences (CCS) and Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, USA

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Issue

Vol. 92, Iss. 11 — 19 March 2004

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