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Microscopic Origins Of The Large Piezoelectricity Of Leadfree (Ba,Ca)(Zr,Ti)O3, Yousra Nahas, Alireza Akbarzadeh, Sergei Prokhorenko, Sergey Prosandeev, Raymond Walter, Igor Kornev, Jorgé Íñiguez, Laurent Bellaiche
Microscopic Origins Of The Large Piezoelectricity Of Leadfree (Ba,Ca)(Zr,Ti)O3, Yousra Nahas, Alireza Akbarzadeh, Sergei Prokhorenko, Sergey Prosandeev, Raymond Walter, Igor Kornev, Jorgé Íñiguez, Laurent Bellaiche
Raymond Walter
In light of directives around the world to eliminate toxic materials in various technologies, finding lead-free materials with high piezoelectric responses constitutes an important current scientific goal. As such, the recent discovery of a large electromechanical conversion near room temperature in (1 x)Ba(Zr0.2Ti0.8)O3 x(Ba0.7Ca0.3)TiO3 compounds has directed attention to understanding its origin. Here, we report the development of a large-scale atomistic scheme providing a microscopic insight into this technologically promising material. We find that its high piezoelectricity originates from the existence of large fluctuations of polarization in the …