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Surface-induced polarity inversion in ZnO nanowires

Giancarlo Cicero, Andrea Ferretti, and Alessandra Catellani
Phys. Rev. B 80, 201304(R) – Published 2 November 2009

Abstract

In this work we use ab initio calculations to address the polar behavior of ZnO nanowires. Moving from a description based on Wannier functions, we employ a computational approach that allows one to express the polarization of a nanostructure in terms of local contributions. In particular, we discuss the changes in the nanostructure polarity in terms of two contributions, one related to changes in the equilibrium lattice parameters and the other related to surface effects. The former contribution is also interpreted on the basis of piezoelectric constants. Surprisingly, we find that for the smallest nanostructures, the average dipole is opposite to that of an infinite bulk structure.

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  • Received 6 October 2009
  • Publisher error corrected 3 March 2010

DOI:https://doi.org/10.1103/PhysRevB.80.201304

©2009 American Physical Society

Corrections

3 March 2010

Erratum

Publisher's Note: Surface-induced polarity inversion in ZnO nanowires [Phys. Rev. B 80, 201304(R) (2009)]

Giancarlo Cicero, Andrea Ferretti, and Alessandra Catellani
Phys. Rev. B 81, 129901 (2010)

Authors & Affiliations

Giancarlo Cicero*

  • Materials Science and Chemical Engineering Department, Politecnico of Torino, Torino, Italy and CNR–IMEM, Parco Area delle Scienze 37A, I-43100 Parma, Italy

Andrea Ferretti

  • Dipartimento di Fisica, Università di Modena e Reggio Emilia, I-41100 Modena, Italy and National Center on nanoStructures and bioSystems at Surfaces, CNR–INFM–S3, Via Campi 213/a, I-41100 Modena, Italy

Alessandra Catellani

  • CNR–IMEM, Parco Area delle Scienze 37A, I-43100 Parma, Italy

  • *Corresponding author; giancarlo.cicero@polito.it
  • Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA.

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Issue

Vol. 80, Iss. 20 — 15 November 2009

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