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This document summarizes a first-principles study of the lead-free piezoelectric material SnTiO3. The study finds that SnTiO3 has a stable tetragonal P4mm structure through structural optimization calculations. Frozen-phonon calculations show lattice instability at the centrosymmetric structure but local stability of the P4mm structure. Electric polarization and piezoelectric coefficients are calculated and found to be comparable to PbTiO3, making SnTiO3 a promising alternative piezoelectric material withou

Author

زياد المغبش

Language

EN