Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session P64: Carriers in Ferroelectrics and Multiferroic Quantum Criticality
2:30 PM–5:30 PM,
Wednesday, March 4, 2020
Room: Mile High Ballroom 4E
Sponsoring
Units:
DMP DCOMP
Chair: Katherine Inzani, Lawrence Berkeley National Laboratory
Abstract: P64.00009 : Uniqueness of the Polarization in Crystals and Nanostructures*
View Presentation
Abstract
Presenter:
Shoham Sen
(Carnegie Mellon Univ)
Authors:
Shoham Sen
(Carnegie Mellon Univ)
Yang Wang
(Carnegie Mellon Univ)
Pradeep Sharma
(Mechanical Engineering, University of Houston)
Kaushik Dayal
(Carnegie Mellon Univ)
We examine this issue using a rigorous approach based on the framework of two-scale convergence. By examining the continuum limit of when the lattice spacing is much smaller than the characteristic dimensions of the body, we prove that accounting for the boundaries consistently provides a route to uniquely compute electric fields and potentials despite the non-uniqueness of the polarization. Specifically, different choices of the unit cell in the interior of the body leads to correspondingly different partial unit cells at the boundary; while the interior unit cells satisfy charge neutrality, the partial cells on the boundary need not; the net effect is that these changes compensate each other.
*We thank the DOD MURI program for financial support.
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