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arXiv · 1307.6945

Exploration of the momentum of ferroelectric domain walls via molecular dynamics simulations

Shi Liu·Ilya Grinberg·Andrew M. Rappe
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Abstract

The motion of ferroelectric domain walls (DW) is critical for various technological applications of ferroelectric materials. One important question that is of interest both scientifically and technologically is whether the ferroelectric DW has momentum. To address this problem, we performed canonical ensemble molecular dynamics simulations of 180$^\circ$ and 90$^\circ$ DWs under applied electric field. Examination of the evolution of the polarization and local structure of DWs reveals that they stop moving after the removal of electric field. Thus, our computational study shows that ferroelectric domain walls do not have momentum.

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Shi Liu, Ilya Grinberg, Andrew M. Rappe. 2013-07-26. Exploration of the momentum of ferroelectric domain walls via molecular dynamics simulations. https://doi.org/10.1063/1.4832421

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