Finite-temperature properties of PZT alloys from first principles

Preprint

21 April 2000

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/0004371

Abstract

A first-principles-derived approach is developed to study finite-temperature properties of PbZr{1-x}Ti{x}O3 (PZT) solid solutions near the morphotropic phase boundary (MPB). Structural and piezoelectric predictions are in excellent agreement with experimental data and direct first-principles results. A low-temperature monoclinic phase is confirmed to exist, and is demonstrated to act as a bridge between the well-known tetragonal and rhombohedral phases delimiting the MPB. A successful explanation for the large piezoelectricity found in PZT ceramics is also provided.

Keywords

FINITE TEMPERATURE PROPERTIES
TEMPERATURE PROPERTIES
PRINCIPLES DERIVED
PIEZOELECTRIC
PZT ALLOYS
MPB

All Related Versions

Version 1, 2000-04-21, ArXiv
Published version: Physical Review Letters, 84 (23), 5427.

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