Abstract
In this study, we investigated new bio-compatible piezoelectric materials in perovskite-type oxide ABO_3 through first-principles calculation. Firstly, stable combinations which satisfy the geometric stable were searched. Secondly, insulating substrates were discriminated with electric band structure. Then, phonon properties in cubic structures were analyzed and the possibilities of structural phase transition from cubic structure to tetragonal one were explored for the promising materials. As a result, we discovered 5 oxides for the bio-compatible piezoelectric material. Finally, their characteristics of stable tetragonal structure were analyzed. MgSiO_3 and CaTiO_3 were predicted to have higher piezoelectricity.
