Pb-free ferroelectrics investigated with density functional theory: SnAl1/2Nb1/2O3 perovskites
نویسندگان
چکیده
Joseph W. Bennett,1 Ilya Grinberg,1 Peter K. Davies,2 and Andrew M. Rappe1,2 1The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Phliadelphia, Pennsylvania 19104-6323, USA 2Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6272, USA (Received 21 September 2010; revised manuscript received 11 February 2011; published 26 April 2011)
منابع مشابه
Pb-free Ferroelectrics Investigated with Density Functional Theory: SnAlÂ1⁄2NbÂ1⁄2O3 Perovskites
Interest in Pb-free ferroelectrics has intensified as the search for less toxic Pb replacements continues. Since Sn is isoelectronic with Pb, it has generated great interest. Most of this effort has focused on SnTiO3. Even though it shows impressive ferroelectricity in calculations, synthesis has proved elusive.We therefore use densityfunctional theory (DFT) to investigate B-site alternatives t...
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