Electric-field induced polarization paths in alloys
- 19 July 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 64 (6), 060103
- https://doi.org/10.1103/physrevb.64.060103
Abstract
Properties of (PZT) for compositions x near the morphotropic phase boundary and under an electric field are simulated using an ab initio based approach. Applying an electric field of [111] orientation to tetragonal PZT (e.g., leads to the expected sequence of tetragonal, A-type monoclinic, and rhombohedral structures. However, the application of a field of orientation [001] to rhombohedral PZT (e.g., does not simply reverse this sequence. Instead, the system follows a complicated path involving also triclinic and C-type monoclinic structures. These latter phases are found to exhibit huge shear piezoelectric coefficients.
Keywords
This publication has 17 references indexed in Scilit:
- Polarization Rotation via a Monoclinic Phase in the Piezoelectric 92% -8%Physical Review Letters, 2001
- Monoclinic and triclinic phases in higher-order Devonshire theoryPhysical Review B, 2001
- Finite-Temperature Properties ofAlloys from First PrinciplesPhysical Review Letters, 2000
- Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectricsNature, 2000
- A monoclinic ferroelectric phase in the Pb(Zr1−xTix)O3 solid solutionApplied Physics Letters, 1999
- Ultrahigh strain and piezoelectric behavior in relaxor based ferroelectric single crystalsJournal of Applied Physics, 1997
- First-principles theory of ferroelectric phase transitions for perovskites: The case ofPhysical Review B, 1995
- Phase Transitions in BaTifrom First PrinciplesPhysical Review Letters, 1994
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964