First-principles study of polarization and piezoelectricity behavior in tetragonal PbTiO3-based superlattices*

Project supported by the National Natural Science Foundation of China (Grant No. 11372085) and the Shenzhen Science and Technology Project (Grant No. JCYJ20150625142543461).

Zhu Zhenye
       

(color online) The displacement from the center of the corresponding O12 cage and O8 cage in (a) PbTiO3/KNbO3 and (b) PbTiO3/LaAlO3 versus c-axis length change.