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

TL;DR

This study uses molecular dynamics simulations to investigate whether ferroelectric domain walls possess momentum, concluding that they do not continue moving after the electric field is removed, which clarifies a fundamental aspect of their dynamics.

Contribution

The paper provides the first computational evidence that ferroelectric domain walls lack momentum, addressing a key scientific question with detailed molecular dynamics simulations.

Findings

Domain walls stop moving after electric field removal

Ferroelectric domain walls do not have momentum

Simulation results clarify fundamental domain wall dynamics

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.