抄録
We proposed a multiscale analysis of epitaxial piezoelectric thin film fabricated on substrate. At first, the energy of piezoelectric crystals, which are under epitaxit ial strain caused by mismatch with substrate, was evaluated by ab initio calculations. Next, preferred orientations were predicted by the energy of piezoelectric crystals. Then, the obtained preferred orientations were introduced into microstructure and macro piezoelectric properties were evaluated by multiscale finite element method based on homogenization method. As a result, preferred orientations and macro relative dielectric constants have a good relation with experimental ones.
