Ferroelectricity in BaTi2O5 was analyzed using first-principles calculations. The polarization of BaTi2O5 was found to be smaller than the perovskite ferroelectrics and its Curie temperature was higher and comparable to that of PbTiO3. The calculated piezoelectric constant was 2.02 C/m2. The results show that the properties of BaTi2O5 can be improved and it appeared a promising material for future lead-free high-temperature ferroelectrics.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)