2001/04/18 by L. Bellaïche, L. Bellaiche, A. Garcia +2 · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Acoustic Wave Resonator Technologies #Ferroelectric and Piezoelectric Materials #Microwave Dielectric Ceramics Synthesis #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.64.060103
4 pages, with 2 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/lb_pztf/index.html
arxiv created 2001/04/18 · openalex publication_date 2001/07/19 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Properties of Pb(Zr_1\ensuremath-xTix)O3 (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., x=0.50) 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., x=0.47) 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.