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Theoretical and Computational Modeling of Ferroelectrics and Multiferroics

FOCUS · M41 · ID: 1095616

Presentations

  • Magnetoelectric multipoles and spin textures in real-space and reciprocal space

    ORAL · Invited

    –

    Publication: [1] S. Bhowal and N. A. Spaldin, Phys. Rev. Lett. (Editors' Suggestion) 128, 227204 (2022).<br>[2] S. Bhowal, S. P. Collins, and N. A. Spaldin, Phys. Rev. Lett. 128, 116402 (2022).

    Presenters

    • Sayantika Bhowal

      ETH Zurich

    Authors

    • Sayantika Bhowal

      ETH Zurich

    • Stephen P Collins

      Diamond Light Source Ltd

    • Nicola A Spaldin

      ETH Zurich

    View abstract →

  • Spin-polarized Flexoelectricity

    ORAL

    –

    Presenters

    • John Cavin

      Northwestern University

    Authors

    • John Cavin

      Northwestern University

    • James M Rondinelli

      Northwestern University

    View abstract →

  • Understanding Dynamics of Heterogeneous Ferroelectric Oxides at the Nanoscale using Graph Neural Networks on Reactive Force-Field Simulations

    ORAL

    –

    Presenters

    • Abhijeet S Dhakane

      University of Tennessee

    Authors

    • Abhijeet S Dhakane

      University of Tennessee

    • Tian Xie

      Massachusetts Institute of Technology

    • Bobby G Sumpter

      Oak Ridge National Laboratory, Oak Ridge National Lab, Oak Ridge National Laboratory (ORNL), Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831

    • Dundar Yilmaz

      Pennsylvania State University

    • Adri C Van Duin

      Pennsylvania State University

    • Panchapakesan Ganesh

      Oak Ridge National Lab

    View abstract →

  • Dynamic Atomic Off-centering and Its Selective Coupling with Phonons in KTa<sub>(1-x)</sub>Nb<sub>x</sub>O<sub>3</sub>

    ORAL

    –

    Presenters

    • Xing He

      University of Minnesota

    Authors

    • Xing He

      University of Minnesota

    • Olivier Delaire

      Duke University

    • Douglas L Abernathy

      Oak Ridge National Lab, Oak Ridge National Laboratory

    • Garrett E Granroth

      Oak Ridge National Lab

    • Feng Ye

      Oak Ridge National Lab, SNS, ORNL

    • Lynn A Boatner

      Oak Ridge National Lab

    View abstract →

  • FerroX : A GPU-accelerated, 3D Phase-Field Simulation Framework for Modeling Ferroelectric Devices

    ORAL

    –

    Publication: FerroX : A GPU-accelerated, 3D Phase-Field Simulation Framework for Modeling Ferroelectric Devices

    Presenters

    • Prabhat Kumar

      Lawrence Berkeley National Laboratory

    Authors

    • Prabhat Kumar

      Lawrence Berkeley National Laboratory

    • Andy J Nonaka

      Lawrence Berkeley National Laboratory

    • Revathi Jambunathan

      Lawrence Berkeley National Laboratory

    • Girish Pahwa

      University of California, Berkeley

    • Sayeef Salahuddin

      University of California, Berkeley

    • Zhi Yao

      Lawrence Berkeley National Laboratory

    View abstract →

  • Manipulation of spin orientation in iron-doped ferroelectric oxides from first principles

    ORAL

    –

    Publication: Katherine Inzani, Nabaraj Pokhrel, Nima Leclerc, Zachary Clemens, Sriram P. Ramkumar, Sinéad M. Griffin, and Elizabeth A. Nowadnick, Physical Review B 105, 054434 (2022)

    Presenters

    • Elizabeth A Nowadnick

      University of California, Merced, University of California Merced

    Authors

    • Elizabeth A Nowadnick

      University of California, Merced, University of California Merced

    • Katherine Inzani

      Lawrence Berkeley National Laboratory

    • Nabaraj Pokhrel

      University of California, Merced

    • Nima Leclerc

      University of Pennsylvania

    • Sriram Ramkumar

      Micron Technology

    • Zachary Clemens

      University of California, Merced

    • Sinead M Griffin

      Lawrence Berkeley National Laboratory, Materials Science Division and Molecular Foundry, Berkeley Lab, Lawrence Berkeley National Lab, Materials Sciences Division and Molecular Foundry, LBNL

    View abstract →

  • Exploring Electrically Controlled Magnons for Post-Moore Microelectronics with Exascale Modeling

    ORAL

    –

    Presenters

    • Zhi Yao

      Lawrence Berkeley National Laboratory

    Authors

    • Zhi Yao

      Lawrence Berkeley National Laboratory

    • Prabhat Kumar

      Lawrence Berkeley National Laboratory

    • Andy J Nonaka

      Lawrence Berkeley National Laboratory

    • Revathi Jambunathan

      Lawrence Berkeley National Laboratory

    • Xianzhe Chen

      UC Berkeley

    • Xiaoxi Huang

      University of California, Berkeley

    • Ramamoorthy Ramesh

      Rice University

    View abstract →

  • First-principles theory of phonon magnetic moment

    ORAL

    –

    Presenters

    • Xiaowei Zhang

      University of Washington

    Authors

    • Xiaowei Zhang

      University of Washington

    • Chong Wang

      University of Washington, Carnegie Mellon University

    • Yafei Ren

      University of Washington

    • Ting Cao

      University of Washington, Department of Materials Science & Engineering, University of Washington

    • Di Xiao

      University of Washington, 1. Department of Materials Science & Engineering, University of Washington, Seattle WA 98915 2. Department of Physics, University of Washington, Seattle WA 98915, Department of Materials Science & Engineering, Department of Physics, University of Washington; Pacific Northwest National Laboratory

    View abstract →

  • Local symmetry breaking in different phases of BaTiO<sub>3</sub>

    ORAL

    –

    Publication: [1] XG Zhao, O Malyi, S Billinge, and A Zunger, Physical Review B 2022, 105, 224108.

    Presenters

    • Xingang Zhao

      University of Colorado, Boulder

    Authors

    • Xingang Zhao

      University of Colorado, Boulder

    • Oleksandr I Malyi

      ENSEMBLE3 - Centre of Excellence, Centre of Excellence ENSEMBLE3 Sp. z o. o

    • Sandra H Skjærvø

      2. Department of Applied Physics and Applied Mathematics, Fu Foundation School of Engineering and Applied Sciences, Columbia University, New York

    • Simon L Billinge

      Columbia Univ

    • Alex Zunger

      University of Colorado, Boulder

    View abstract →