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New Piezoelectric Oxide Materials P. Shiv Halasyamani (Univ

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1 New Piezoelectric Oxide Materials P. Shiv Halasyamani (Univ
New Piezoelectric Oxide Materials P. Shiv Halasyamani (Univ. Houston), AC10 New Piezoelectric oxides may be synthesized by utilizing cations susceptible to second-order Jahn-Teller (SOJT) distortions. These cations are d0 transition metals (Ti4+, Nb5+, W6+, etc.) and lone-pair cations (Se4+, Te4+, Sb3+, etc.). Using this methodology, we have synthesized and characterized a variety of new piezoelectric oxides, including RbSe2V3O12, TlSe2V3O12, Li2Ti(IO3)6, and Na2Ti(IO3)6. The figure depicts the energy landscape with respect to inversion of the polarization in a IO3 polyhedron. The energy barrier to inversion is -8.5eV which is substantially larger than in ferroelectrics such as BaTiO3 (∼1.8 × 10-2 eV) and PbTiO3 (∼2.0 × 10-1 eV). We have also used computational methods to describe why two materials, Li2Ti(IO3)6 and Na2Ti(IO3)6, although polar are not ferroelectric, i.e. their polarization is not reversible.

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