Abstract
Enhancement of ferroelectric properties, both spontaneous polarization and Curie temperature under negative pressure had been predicted in the past from first principles and recently confirmed experimentally. In contrast, piezoelectric properties are expected to increase by positive pressure, through polarization rotation. Here we investigate the piezoelectric response of the classical PbTiO3, Pb(Zr,Ti)O3 and BaTiO3 perovskite ferroelectrics under negative pressure from first principles and find significant enhancement. Piezoelectric response is then tested experimentally on free-standing PbTiO3 and Pb(Zr,Ti)O3 nanowires under self-sustained negative pressure, confirming the theoretical prediction. Numerical simulations verify that negative pressure in nanowires is the origin of the enhanced electromechanical properties. The results may be useful in the development of highly performing piezoelectrics, including lead-free ones.
Highlights
Enhancement of ferroelectric properties, both spontaneous polarization and Curie temperature under negative pressure had been predicted in the past from first principles and recently confirmed experimentally
We show that negative pressure enhances piezoelectric response in ferroelectric perovskites with ab initio calculations
We examined by ab initio calculations the evolution of electromechanical properties of three common tetragonal perovskite materials, PTO, BaTiO3 (BTO) and a highly tetragonal composition of PZT under negative pressure
Summary
Enhancement of ferroelectric properties, both spontaneous polarization and Curie temperature under negative pressure had been predicted in the past from first principles and recently confirmed experimentally. We investigate the piezoelectric response of the classical PbTiO3, Pb(Zr,Ti)O3 and BaTiO3 perovskite ferroelectrics under negative pressure from first principles and find significant enhancement. The recent fabrication of freestanding ferroelectric nanowires of lead titanate, PbTiO3 (PTO) under negative pressure allowed experimental demonstration of the expected enhancements[6]. It has been shown that the piezoelectric response is enhanced under positive pressure (compression); this is due to the approaching morphotropic boundary, which flattens the free-energy surface, facilitating rotational instability of the polarization under compression. The positive effect of negative pressure on piezoelectric properties is investigated and witnessed experimentally on PTO and Pb(Zr,Ti)O3 (PZT) nanowires derived from their lower-density phases
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
