Piezoelectricity in chalcogenide perovskites

Abstract Piezoelectric materials show potential to harvest the ubiquitous, abundant, and renewable energy associated with mechanical vibrations. However, the best performing piezoelectric materials typically contain lead which is a carcinogen. Such lead-containing materials are hazardous and are being increasingly curtailed by environmental regulations. In this study, we report that the lead-free chalcogenide perovskite family of materials exhibits piezoelectricity. First-principles calculations indicate that even though these materials are centrosymmetric, they are readily polarizable when deformed. The reason for this is shown to be a loosely packed unit cell, containing a significant volume of vacant space. This allows for an extended displacement of the ions, enabling symmetry reduction, and resulting in an enhanced displacement-mediated dipole moment. Piezoresponse force microscopy performed on BaZrS 3 confirmed that the material is piezoelectric. Composites of BaZrS 3 particles dispersed in polycaprolactone were developed to harvest energy from human body motion for the purposes of powering electrochemical and electronic devices.