Abstract
The effect of the
B
-site donor on the fatigue behavior of lead zirconate titanate (PZT) was studied. Seven elements were considered. The formation energies of oxygen vacancies and band structures of these doped systems were investigated. It was found that the Nb, Ta, and W doped PZT systems have the highest formation energy of oxygen vacancies as well as reduced occupations of Ti
3
d
states by the electrons released from oxygen vacancies. Therefore, the systems respectively doped with Nb, Ta, and W can effectively improve the fatigue property of PZT.