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Design of New Polar Oxide Materials P. Shiv Halasyamani, University Houston, DMR 0652150

Design of New Polar Oxide Materials P. Shiv Halasyamani, University Houston, DMR 0652150. Polar Materials exhibit a variety of technologically important properties including piezoelectricity and ferroelectricity.

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Design of New Polar Oxide Materials P. Shiv Halasyamani, University Houston, DMR 0652150

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  1. Design of New Polar Oxide MaterialsP. Shiv Halasyamani, University Houston, DMR 0652150 • Polar Materials exhibit a variety of technologically important properties including piezoelectricity and ferroelectricity. • New polar 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 polar oxides, including RbSe2V3O12, TlSe2V3O12, Li2Ti(IO3)6, Na2Ti(IO3)6, KNbW2O9, RbNbW2O9, and KTaW2O9. Halasyamani, et al., J am. Chem. Soc., 131, 6865-6873, 2009. • 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.

  2. Design of New Polar Oxide MaterialsP. Shiv Halasyamanim, University. Houston, DMR 0652150 Funding from the NSF through the Division of Materials Research supports an interdisciplinary and broad research and educational program in inorganic solid state materials chemistry. • Undergraduates Supported: Angelica Torres*, Mary Elhardt*, Casey Hood, Jeremy Harris*, and Antonio Pontifes* - current • Graduate Students Supported: Jaewook Baek (MS 2009) – Graduated • Hong Young Chang (PhD 2009), Jeongho Yeon (PhD 2011), and Sau Doan Nguyen (PhD 2012) – all current • Post-doctoral Associates Supported: Dr. Jun Ho Kim (PhD 2006, Michigan State University) – at DC Chemicals, Seoul, Korea • Dr. Sang-Hwan Kim (PhD 2007, Arizona State University) - current • Collaborators: Prof. Santiago Alvarez (University of Barcelona), Prof. Simon Clarke (University of Oxford), Prof. Patrick Woodward (Ohio State University), Prof. Alexander Norquist (Haverford College), Prof. Jennifer Aitken (Duquesne University), Prof. Pantelis Trikalitis (University of Crete), Prof. Yoshiyuki Inaguma (Gakaushuin University) *Under-represented Minority

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