Berry-phase theory of proper piezoelectric response

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Abstract

Recent theoretical advances have established that the electric polarization in an insulating crystal can be viewed as a multivalued quantity that is determined by certain Berry phases associated with the occupied Bloch bands. The application of this approach to the computation of piezoelectric coefficients is not entirely straightforward, since a naive determination of the ("improper") piezoelectric coefficients from finite differences of the polarization at nearby strain states leads to a dependence upon the choice of "branch" of the polarization. The purpose of the present paper is to clarify that if one calculates instead the "proper" piezoelectric response, the branch dependence is eliminated. From this analysis, a simplified recipe for the direct finite-difference computation of the proper piezoelectric coefficients emerges naturally.

Original languageEnglish (US)
Pages (from-to)147-151
Number of pages5
JournalJournal of Physics and Chemistry of Solids
Volume61
Issue number2
DOIs
StatePublished - Jan 1 2000
EventProceedings of the 1999 Williamsburg Workshop on Ferroelectrics - Williamsburg, VA, United States
Duration: Jan 31 1999Feb 3 1999

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All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Keywords

  • Berry phase

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