We perform first-principles electronic structure calculations for the lead-free perovskite SnTiO 3 . Structural optimization is carried out to get the stable tetragonal P 4 m m structure. Frozen-phonon calculation shows the lattice instability at the centrosymmetric tetragonal P 4/ m m m structure and the local stability of the P 4 m m structure. By using the Berry-phase method, the electric polarization and the piezoelectric coefficients are evaluated and found to be comparable with those of PbTiO 3 .
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Uratani et al. (2008) studied this question.
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