We proposed crystal growth prediction to fabricate new biocompatible piezoelectric material. At first, the energy of piezoelectric crystals, which are under epitaxit ial strain caused by mismatch between thin film and substrate, was evaluated by ab initio calculations. As a result, the energy shows differences between tensile and compressive strains, and among crystal growth orientations even if the same epitaxitial strain is applied. Then, we applied the energy by ab initio calculation to evaluate crystal growth on a substrate, and could predict preferred orientations.
