Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session U52: Surfaces and Thin Films of Novel Electronic Materials
2:30 PM–5:18 PM,
Thursday, March 5, 2020
Room: Mile High Ballroom 1E
Sponsoring
Unit:
DCMP
Chair: Daniel Dougherty, North Carolina State University
Abstract: U52.00007 : Domain Walls in the Electronic Polarization of Silver Bismuthate
Presenter:
Fred Florio
(Rensselaer Polytechnic Institute)
Authors:
Fred Florio
(Rensselaer Polytechnic Institute)
Ravishankar Sundararaman
(Rensselaer Polytechnic Institute)
Jian Shi
(Rensselaer Polytechnic Institute)
Yuwei Guo
(Rensselaer Polytechnic Institute)
Here we present structures of candidate domain walls in Ag2BiO3, using ab initio methods to determine the relative energies, structural displacements and charge disproportiations associated with of these domain walls. We also calculate the spatial width of the domain walls, the energy landscape of the polarization order parameter, and the bulk elastic response of the material. These quantities now facilitate phase field simulations of the polarization dynamics in Ag2BiO3, providing insight into the domain-switching dynamics from nano to micro scales.
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