Exploration of the intrinsic inertial response of ferroelectric domain walls via molecular dynamics simulations

Shi Liu; Ilya Grinberg; Andrew M. Rappe

doi:10.1063/1.4832421

Exploration of the intrinsic inertial response of ferroelectric domain walls via molecular dynamics simulations

Shi Liu, Ilya Grinberg, Andrew M. Rappe

University of Pennsylvania

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

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

Original language	English
Article number	232907
Journal	Applied Physics Letters
Volume	103
Issue number	23
DOIs	https://doi.org/10.1063/1.4832421
State	Published - 2 Dec 2013
Externally published	Yes

Bibliographical note

Funding Information:
S.L. was supported by the NSF through Grant DMR11-24696. I.G. was supported by the US DOE under Grant DE-FG02-07ER46431. A.M.R. was supported by the US ONR under Grant N00014-12-1-1033. Computational support was provided by the U.S. DOD through a Challenge Grant from the HPCMO and by the U.S. DOE through computer time at NERSC. We thank Professor Marty Gregg for stimulating discussions.

Funding

S.L. was supported by the NSF through Grant DMR11-24696. I.G. was supported by the US DOE under Grant DE-FG02-07ER46431. A.M.R. was supported by the US ONR under Grant N00014-12-1-1033. Computational support was provided by the U.S. DOD through a Challenge Grant from the HPCMO and by the U.S. DOE through computer time at NERSC. We thank Professor Marty Gregg for stimulating discussions.

Funders	Funder number
HPCMO
U.S. DOD
National Science Foundation	DMR11-24696
Office of Naval Research	N00014-12-1-1033
U.S. Department of Energy	DE-FG02-07ER46431

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title = "Exploration of the intrinsic inertial response of ferroelectric domain walls via molecular dynamics simulations",

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

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note = "Funding Information: S.L. was supported by the NSF through Grant DMR11-24696. I.G. was supported by the US DOE under Grant DE-FG02-07ER46431. A.M.R. was supported by the US ONR under Grant N00014-12-1-1033. Computational support was provided by the U.S. DOD through a Challenge Grant from the HPCMO and by the U.S. DOE through computer time at NERSC. We thank Professor Marty Gregg for stimulating discussions.",

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Exploration of the intrinsic inertial response of ferroelectric domain walls via molecular dynamics simulations

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