Theory of Ferroic Systems
FOCUS · S30 ·
Presentations
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New design strategy for realizing multiferroic materials
ORAL
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Authors
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Danilo Puggioni
- Department of Materials Science and Engineering, Northwestern University, Evanston, IL60208, USA
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Gianluca Giovannetti
- CNR-IOM-Democritos National Simulation Centre and International School for Advanced Studies (SISSA), Via Bonomea 265, I-34136, Trieste, Italy
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Massimo Capone
- CNR-IOM-Democritos National Simulation Centre and International School for Advanced Studies (SISSA), Via Bonomea 265, I-34136, Trieste, Italy
- International School for Advanced Studies
- SISSA Trieste, Italy
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James Rondinelli
- Northwestern University
- Department of Materials Science and Engineering, Northwestern University, Evanston, IL60208, USA
- Northwestern Univ
- Department of Materials Science and Engineering, Northwestern University
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Crystal structure and electronic properties of bulk and thin-film brownmillerite oxides
ORAL
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Authors
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Joshua Young
- Drexel University
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James Rondinelli
- Northwestern University
- Department of Materials Science and Engineering, Northwestern University, Evanston, IL60208, USA
- Northwestern Univ
- Department of Materials Science and Engineering, Northwestern University
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Unveiling hidden ferrimagnetism and giant magnetoelectricity in polar magnet Fe$_{2}$Mo$_{3}$O$_{8}$
ORAL
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Authors
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Yazhong Wang
- Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
- RCEM, Rutgers Univ
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Gheorghe L. Pascut
- RCEM, Rutgers Univ
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Bin Gao
- RCEM, Rutgers Univ
- Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
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Trevor A. Tyson
- New Jersey Institute of Technology
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Kristjan Haule
- RCEM, Rutgers Univ
- Rutgers University
- Dept. Physics, Rutgers University
- Rutgers, The State University of New Jersey
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Valery Kiryukhin
- RCEM, Rutgers Univ
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Sang-Wook Cheong
- Rutgers, The State University of New Jersey
- Rutgers University
- Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
- RCEM, Rutgers Univ
- Rutgers Univ
- Department of Physics \& Astronomy, Rutgers University
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Theory of colossal magnetoelectric response near spin-flop transition in Ni3TeO6
COFFEE_KLATCH · Invited
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Authors
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Sergey Artyukhin
- Italian Institute of Technology
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Multiferroic behavior at a spin state transition
ORAL
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Authors
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Vivien Zapf
- National High Magnetic Field Laboratory, Los Alamos National Lab (LANL)
- National High Magnetic Field Lab, Los Alamos National Laboratory, Los Alamos, NM 87544, USA
- NHMFL-LANL
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Shalinee Chikara
- National High Magnetic Field Laboratory, Los Alamos National Lab (LANL)
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John Singleton
- National High Magnetic Field Laboratory, Los Alamos
- Los Alamos National Laboratory
- NHMFL/LANL
- National High Magnetic Field Laboratory, Los Alamos National Lab (LANL)
- National High Magnetic Field Lab, Los Alamos National Laboratory, Los Alamos, NM 87544, USA
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Shizeng Lin
- Theory Division, LANL
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Cristian Batista
- Los Alamos National Laboratory
- Theory Division, LANL
- T-Division and CNLS, Los Alamos National Laboratory
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Brian Scott
- MPA-11, LANL
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Nathan Smythe
- Chemistry Division C-IIAC, LANL
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ABSTRACT WITHDRAWN
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Spin polarized electronic states and spin textures at the surface of oxygen-deficient SrTiO$_3$
ORAL
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Authors
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Harald Jeschke
- Institute for Theoretical Physics, University of Frankfurt, Frankfurt a.M., Germany
- Institut f{\"u}r Theoretische Physik, Goethe-Universit{\"a}t Frankfurt, Germany
- Goethe-Universität Frankfurt
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Michaela Altmeyer
- Institut f{\"u}r Theoretische Physik, Goethe-Universit{\"a}t Frankfurt, Germany
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Marcelo Rozenberg
- Laboratoire de Physique des Solides, Universit{\'e} Paris-Sud, France
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Marc Gabay
- Laboratoire de Physique des Solides, Universit{\'e} Paris-Sud, France
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Roser Valenti
- Institut f{\"u}r Theoretische Physik, Goethe-Universit{\"a}t Frankfurt, Germany
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Electronic structure studies on competing phases of Aurivillius Bi$_4$Ti$_3$O$_{12}$ using first-principles calculations
ORAL
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Authors
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Fu-Chang Sun
- University of Connecticut, Department of Physics
- University of Connecticut
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Sanjeev Nayak
- University of Connecticut, Department of Materials Science & Engineering
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Deepam Maurya
- Virginia Tech, Bio-inspired Materials and Devices Laboratory (BMDL), Center for Energy Harvesting Materials and Systems (CEHMS)
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Shashank Priya
- Virginia Tech, Bio-inspired Materials and Devices Laboratory (BMDL), Center for Energy Harvesting Materials and Systems (CEHMS)
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S. Pamir Alpay
- University of Connecticut, Department of Materials Science & Engineering
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ABSTRACT WITHDRAWN
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Microscopic description of oxide perovskites and automated high-throughput analysis of their energy landscape
ORAL
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Authors
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Giovanni Pizzi
- Ecole Polytechnique Federale de Lausanne, Switzerland
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Andrea Cepellotti
- Ecole Polytechnique Federale de Lausanne, Switzerland
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Boris Kozinsky
- Research and Technology Center, Robert Bosch LLC, Cambridge (MA)
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Nicola Marzari
- Ecole Polytechnique Federale de Lausanne, Switzerland
- Ecole Polytechnique Federale de Lausanne (EPFL)
- Theory and Simulations of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL
- THEOS-MARVEL \'{E}cole Polytechnique F\'{e}d\'{e}rale de Lausanne
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Temperature-dependent phase transition of ferroelectric perovskites: A Wang-Landau-DFT approach
ORAL
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Authors
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Simuck Yuk
- Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
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Ying Wai Li
- National Center for Computational Sciences, Oak Ridge National Laboratory
- Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
- Oak Ridge National Lab
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Markus Eisenbach
- National Center for Computational Sciences, Oak Ridge National Laboratory
- Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
- Oak Ridge National Lab
- Materials Science and Technology Division, Oak Ridge National Laboratory
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Valentino Cooper
- Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
- Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
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First Principle Studies of Electromechanical Properties in Mn-Doped BaTiO$_3$
ORAL
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Authors
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Hiroyuki Takenaka
- Carnegie Institution for Science, Washington, DC, USA
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R. E. Cohen
- Carnegie Institution of Washington, Washington, DC, US, Department f\"ur Geo-und Umweltwissenchaften, Ludwig-Maximilians-Universitaet, Munich, Germany
- EMI, Geophysical Lab, Carnegie Inst; Dept. f\"ur Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universitaet
- Carnegie Institution for Science, Washington, DC USA, Department f\"ur Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universitaet, Munich, Germany
- Carnegie Inst for Science and LMU
- Geophysical Laboratory, Carnegie Institution of Washington and Department f\"ur Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universitaet
- Extreme Materials Initiative, Carnegie institution for Science; Department fur Geo und Umweltwissenschaften, Ludwig-Maximilians-Universitaet, Germany
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Towards an understanding of antiferroelectricity in PbZrO$_3$ from first principles
ORAL
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Authors
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Brian M. Abbett
- School of Applied and Engineering Physics, Cornell University
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Karin M. Rabe
- Department of Physics and Astronomy, Rutgers University
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Craig J. Fennie
- School of Applied and Engineering Physics, Cornell University
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