Abstract
In this paper, we investigated on crystal structure of complex perovskite-type oxides ABO_3 through first-principles calculation to develop novel biocompatible piezoelectric materials. Firstly, biocompatible homoelements were set to B site of new materials and 12 combinations were found. Secondly, their insulating properties were distinguished with electric band structure. Then, phonon properties in cubic structures were analyzed and the possibilities of structural phase transition from cubic structure to asymmetry one were investigated to get a high piezoelectricity. Finally, their characteristics of stable structures were analyzed.
