Materials

Method

$d_{1,5}$

$d_{3,1}$

$d_{33}$

ZrTi(PbO₃)₂

DFT-LDA

6.81

1.69

6.18

PbTiO₃

DFT-LDA

6.73

1.68

6.14

PbTiO₃

GGA-PBEsol

3.68

1.49

3.94