Ferroelectricity in BaTi 2 O 5 was analyzed using first-principles calculations. The polarization of BaTi 2 O 5 was found to be smaller than the perovskite ferroelectrics and its Curie temperature was higher and comparable to that of PbTiO 3 . The calculated piezoelectric constant was 2.02 C/m 2 . The results show that the properties of BaTi 2 O 5 can be improved and it appeared a promising material for future lead-free high-temperature ferroelectrics.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)