Session L33: Focus Session: Dielectric, Ferroelectric, and Piezoelectric Oxides: Lattice Dynamics, Polarons, and Structure
2:30 PM–5:30 PM, Tuesday, March 22, 2011
Room: C143/149
Sponsoring Units:
DMP DCOMP
Chair: Matt Dawber, Stony Brook University
Abstract ID: BAPS.2011.MAR.L33.10
Abstract: L33.00010 : Probing Ferroelectricity in Thin-film Perovskite SnTiO$_3$ with First-principles Structural Instability Analysis
4:42 PM–4:54 PM
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Abstract 
Authors:
William Parker
James Rondinelli
Serge Nakhmanson
(Argonne National Laboratory)
Perovskite SnTiO$_3$ has been recently identified in a number of computational studies as an attractive, environmentally-friendly material with potential to replace ferroelectric PbTiO$_3$. However, additional computational evidence suggests that bulk perovskite SnTiO$_3$ may be metastable. Using density-functional theory and phonon-band instability analysis, we investigate avenues for epitaxial stabilization of ferroelectric perovskite SnTiO$_3$ thin films with applied strains of up to $\pm$ 2\%.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.L33.10