First-principles calculations of piezoelectricity and polarization rotation in lead zirconate titanate

Recent experimental and theoretical work indicates that polarization rotation via a monoclinic phase at the morphotropic phase boundary in PZT is responsible for its large piezoelectric response. We performed Linearized augmented plane wave with the local orbital extension (LAPW+LO) method within lo...

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Bibliographic Details
Main Author: Wu, Zhigang
Format: Others
Language:English
Published: W&M ScholarWorks 2002
Subjects:
Online Access:https://scholarworks.wm.edu/etd/1539623401
https://scholarworks.wm.edu/cgi/viewcontent.cgi?article=3192&context=etd