Focus Session: Ferroelectric and Other Oxides

Presentations

• Electric Field Gradient Comparisons in Perovskites

  ORAL

  March 5, 2007, 12:30 PM – March 5, 2007, 12:42 PM

  Authors

  • Dandan Mao

    • College of William and Mary

  • Eric J. Walter

    • College of William and Mary

  • Henry Krakauer

    • College of William and Mary

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• Comparative study of the properties of BaTiO$_3$ and PbTiO$_3$ using DFT (LDA, GGA), HF and hybrid (B3LYP) functionals

  ORAL

  March 5, 2007, 12:42 PM – March 5, 2007, 12:54 PM

  Authors

  • D. I. Bilc

    • Departement de Physique, Universite de Liege, 4000 Liege, BELGIUM

  • P. Hermet

    • Departement de Physique, Universite de Liege, 4000 Liege, BELGIUM

  • Ph. Ghosez

    • Departement de Physique, Universite de Liege, 4000 Liege, BELGIUM

  • J. Iniguez

    • Institut de Ciencia de Materials de Barcelona, 08193 Bellaterra, SPAIN

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• Nuclear Magnetic Resonance Chemical Shielding Calculations of Bulk Oxides

  ORAL

  March 5, 2007, 12:54 PM – March 5, 2007, 1:06 PM

  Authors

  • Daniel Pechkis

    • College of William and Mary

  • Eric J. Walter

    • College of William and Mary

  • Henry Krakauer

    • College of William and Mary

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• Structure and Antiferroelectric Properties of Cesium Niobate, Cs$_{2}$Nb$_{4}$O$_{11}$

  ORAL

  March 5, 2007, 1:06 PM – March 5, 2007, 1:18 PM

  Authors

  • Jianjun Liu

    • Department of Physics, University of Nebraska at Omaha, Omaha, NE 68182 USA

  • Wai-Ning Mei

    • Department of Physics, University of Nebraska at Omaha, Omaha, NE 68182 USA

  • Robert W. Smith

    • Department of Chemistry, University of Nebraska at Omaha, Omaha, NE 68182 USA

  • Chunhua Hu

    • Nebraska Center for Materials and Nanoscience, University of Nebraska–Lincoln, Lincoln, NE 68588 USA

  • Kuan-Jiuh Lin

    • Department of Chemistry, Center of Nanoscience and Nanotechnology, National Chung-Hsing University, Taichung 402, Taiwan, Republic of China

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• First-principles study of polarization and piezoelectric properties of Zn$_{1-x}$Mg$_x$O

  ORAL

  March 5, 2007, 1:18 PM – March 5, 2007, 1:30 PM

  Authors

  • Andrei Malashevich

  • David Vanderbilt

    • Rutgers University

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• Ferroelectricity in CsPbF$_3$

  ORAL

  March 5, 2007, 1:30 PM – March 5, 2007, 1:42 PM

  Authors

  • Marco Fornari

    • Central Michigan University
    • Dept. of Physics, Central Michigan University

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• Enhanced Piezoelectricity from Polarization Rotation in Perovskites

  COFFEE_KLATCH · Invited

  March 5, 2007, 1:42 PM – March 5, 2007, 2:18 PM

  Authors

  • R.E. Cohen

    • Carnegie Institution of Washington

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• Theoretical study of ferroelectric KNO$_3$

  ORAL

  March 5, 2007, 2:18 PM – March 5, 2007, 2:30 PM

  Authors

  • Oswaldo Dieguez

    • Massachusetts Institute of Technology

  • David Vanderbilt

    • Rutgers University

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• Distortions in charge-ordered LuFe$_2$O$_4$

  ORAL

  March 5, 2007, 2:30 PM – March 5, 2007, 2:42 PM

  Authors

  • Takeshi Nishimatsu

  • David Vanderbilt

    • Rutgers University

  • Karin M. Rabe

    • Rutgers University
    • Department of Physics and Astronomy, Rutgers the State University of New Jersey, Piscataway, NJ 08854, USA
    • Rutgers, The State University of New Jersey

  • Y. Horibe

    • Dept. of Physics and Astronomy, Rutgers University

  • SangWook Cheong

    • Department of Physics \& Astronomy, Rutgers University, Piscataway, New Jersey 08854
    • Physics Department, Rutgers University
    • Rutgers University
    • Dept. of Physics and Astronomy, Rutgers University
    • Rutgers Center for Emergent Materials, Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854
    • Department of Physics, Rutgers
    • Rutgers Univ.

  • Claude Ederer

    • Columbia University

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• High-pressure x-ray diffraction of PbTiO$_{3 }$at low temperature

  ORAL

  March 5, 2007, 2:42 PM – March 5, 2007, 2:54 PM

  Authors

  • Muhtar Ahart

    • Geophysical Laboratory, Carnegie Institution of Washington

  • Maddury Somayazulu

    • Geophysical Laboratory, Carnegie Institution of Washington

  • Ronald Cohen

    • Carnegie Institution of Washington
    • Geophysical Laboratory, Carnegie Institution of Washington

  • Russell Hemley

    • Geophysical Laboratory, Carnegie Institution of Washington

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• Phase diagram of PZT solid solutions near the morphotropic phase boundary from first principles

  ORAL

  March 5, 2007, 2:54 PM – March 5, 2007, 3:06 PM

  Authors

  • I. Kornev

    • University of Arkansas, Fayetteville, Arkansas 72701, USA

  • L. Bellaiche

    • University of Arkansas, Fayetteville, Arkansas 72701, USA

  • P.-E. Janolin

    • Laboratoire Structures, Proprietes et Modelisation des Solides, Ecole Centrale Paris, France

  • B. Dkhil

    • Laboratoire Structures, Proprietes et Modelisation des Solides, Ecole Centrale Paris, France

  • E. Suard

    • Institut Laue-Langevin, Grenoble Cedex, France

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• Dynamic fluctuations and static speckle in critical X-ray scattering from SrTiO$_{3}$

  ORAL

  March 5, 2007, 3:06 PM – March 5, 2007, 3:18 PM

  Authors

  • Martin Holt

    • Argonne National Laboratory

  • Mark Sutton

    • McGill University

  • Paul Zschack

    • Argonne National Laboratory

  • Hawoong Hong

    • Univ. of Illinois at Urbana-Champaign
    • Argonne National Laboratory
    • University of Illinois, Urbana-Champaign

  • Tai Chiang

    • Univ. of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign

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• Theoretical investigation of phase transitions in hafnia

  ORAL

  March 5, 2007, 3:18 PM – March 5, 2007, 3:30 PM

  Authors

  • Xuhui Luo

    • The University of Texas

  • Alex Demkov

    • The University of Texas
    • University of Texas at Austin

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