DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Understanding and predicting geometrical constraint ferroelectric charged domain walls in a BiFeO3 island via phase-field simulations

Abstract

It has been known that ferroelectric charged domain walls (CDWs), which break the polarization continuity, may be electrically active with an elevated conductivity. However, the bound charge at CDWs may render them energetically unstable, and thus, forming CDWs naturally and manipulating them electrically is still challenging. Here, we theoretically utilize phase-field simulations to design spontaneously generated CDWs with center-type quad-domains in a single square-shaped BiFeO3 nanoisland. It is shown that the stability of the spontaneously emerging head-to-head domain walls with center-convergent quad-domains is mainly determined by three contributions, namely, the geometrical constraint from approximately 45°-tilted bottom edges, the electric boundary condition, and the necessary screening free charges to compensate head-to-head domain walls. It is demonstrated that the center-convergent quad-domains with head-to-head CDWs can be electrically switched to the center-divergent one with tail-to-tail CDWs, providing guidance for achieving ferroelectric domain-wall-based nanodevices with low-power dissipation.

Authors:
 [1];  [2];  [1]; ORCiD logo [3]; ORCiD logo [1];  [4];  [1]
  1. Tsinghua Univ., Beijing (China)
  2. Pennsylvania State Univ., University Park, PA (United States). Dept. of Material Sciences and Engineering
  3. Beijing Inst. of Technology (China)
  4. Tsinghua Univ., Beijing (China); Pennsylvania State Univ., University Park, PA (United States). Dept. of Material Sciences and Engineering
Publication Date:
Research Org.:
Pennsylvania State Univ., University Park, PA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1609866
Grant/Contract Number:  
FG02-07ER46417
Resource Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 113; Journal Issue: 22; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Physics; Chemical thermodynamics; Ferroelectric materials; Mathematical modeling; Algebraic topology; Nanomaterials; Elastic energy; Nanoelectronics

Citation Formats

Peng, Ren-Ci, Cheng, Xiaoxing, Ma, Ji, Huang, Houbing, Ma, Jing, Chen, Long-Qing, and Nan, Ce-Wen. Understanding and predicting geometrical constraint ferroelectric charged domain walls in a BiFeO3 island via phase-field simulations. United States: N. p., 2018. Web. doi:10.1063/1.5050802.
Peng, Ren-Ci, Cheng, Xiaoxing, Ma, Ji, Huang, Houbing, Ma, Jing, Chen, Long-Qing, & Nan, Ce-Wen. Understanding and predicting geometrical constraint ferroelectric charged domain walls in a BiFeO3 island via phase-field simulations. United States. https://doi.org/10.1063/1.5050802
Peng, Ren-Ci, Cheng, Xiaoxing, Ma, Ji, Huang, Houbing, Ma, Jing, Chen, Long-Qing, and Nan, Ce-Wen. Mon . "Understanding and predicting geometrical constraint ferroelectric charged domain walls in a BiFeO3 island via phase-field simulations". United States. https://doi.org/10.1063/1.5050802. https://www.osti.gov/servlets/purl/1609866.
@article{osti_1609866,
title = {Understanding and predicting geometrical constraint ferroelectric charged domain walls in a BiFeO3 island via phase-field simulations},
author = {Peng, Ren-Ci and Cheng, Xiaoxing and Ma, Ji and Huang, Houbing and Ma, Jing and Chen, Long-Qing and Nan, Ce-Wen},
abstractNote = {It has been known that ferroelectric charged domain walls (CDWs), which break the polarization continuity, may be electrically active with an elevated conductivity. However, the bound charge at CDWs may render them energetically unstable, and thus, forming CDWs naturally and manipulating them electrically is still challenging. Here, we theoretically utilize phase-field simulations to design spontaneously generated CDWs with center-type quad-domains in a single square-shaped BiFeO3 nanoisland. It is shown that the stability of the spontaneously emerging head-to-head domain walls with center-convergent quad-domains is mainly determined by three contributions, namely, the geometrical constraint from approximately 45°-tilted bottom edges, the electric boundary condition, and the necessary screening free charges to compensate head-to-head domain walls. It is demonstrated that the center-convergent quad-domains with head-to-head CDWs can be electrically switched to the center-divergent one with tail-to-tail CDWs, providing guidance for achieving ferroelectric domain-wall-based nanodevices with low-power dissipation.},
doi = {10.1063/1.5050802},
journal = {Applied Physics Letters},
number = 22,
volume = 113,
place = {United States},
year = {Mon Nov 26 00:00:00 EST 2018},
month = {Mon Nov 26 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 15 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Effect of electrical boundary conditions on ferroelectric domain structures in thin films
journal, July 2002

  • Li, Y. L.; Hu, S. Y.; Liu, Z. K.
  • Applied Physics Letters, Vol. 81, Issue 3
  • DOI: 10.1063/1.1492025

The topological theory of defects in ordered media
journal, July 1979


Ferroelastically protected polarization switching pathways to control electrical conductivity in strain-graded ferroelectric nanoplates
journal, August 2018


Interface control of bulk ferroelectric polarization
journal, May 2012

  • Yu, P.; Luo, W.; Yi, D.
  • Proceedings of the National Academy of Sciences, Vol. 109, Issue 25
  • DOI: 10.1073/pnas.1117990109

Aperiodic topological order in the domain configurations of functional materials
journal, March 2017


Observation of polar vortices in oxide superlattices
journal, January 2016

  • Yadav, A. K.; Nelson, C. T.; Hsu, S. L.
  • Nature, Vol. 530, Issue 7589
  • DOI: 10.1038/nature16463

Conduction of Topologically Protected Charged Ferroelectric Domain Walls
journal, February 2012


Polarization charge as a reconfigurable quasi-dopant in ferroelectric thin films
journal, June 2015

  • Crassous, Arnaud; Sluka, Tomas; Tagantsev, Alexander K.
  • Nature Nanotechnology, Vol. 10, Issue 7
  • DOI: 10.1038/nnano.2015.114

Conduction at domain walls in oxide multiferroics
journal, January 2009

  • Seidel, J.; Martin, L. W.; He, Q.
  • Nature Materials, Vol. 8, Issue 3
  • DOI: 10.1038/nmat2373

Conduction through 71° Domain Walls in BiFeO 3 Thin Films
journal, September 2011


Mechanism of polarization fatigue in BiFeO 3 : The role of Schottky barrier
journal, January 2014

  • Zhou, Yang; Zou, Xi; You, Lu
  • Applied Physics Letters, Vol. 104, Issue 1
  • DOI: 10.1063/1.4861231

Anisotropic conductance at improper ferroelectric domain walls
journal, February 2012

  • Meier, D.; Seidel, J.; Cano, A.
  • Nature Materials, Vol. 11, Issue 4
  • DOI: 10.1038/nmat3249

Effect of substrate-induced strains on the spontaneous polarization of epitaxial BiFeO3 thin films
journal, June 2007

  • Zhang, J. X.; Li, Y. L.; Wang, Y.
  • Journal of Applied Physics, Vol. 101, Issue 11
  • DOI: 10.1063/1.2743733

Dynamic Conductivity of Ferroelectric Domain Walls in BiFeO 3
journal, May 2011

  • Maksymovych, Peter; Seidel, Jan; Chu, Ying Hao
  • Nano Letters, Vol. 11, Issue 5
  • DOI: 10.1021/nl104363x

Domain Wall Conductivity in La-Doped BiFeO 3
journal, November 2010


Temporary formation of highly conducting domain walls for non-destructive read-out of ferroelectric domain-wall resistance switching memories
journal, November 2017

  • Jiang, Jun; Bai, Zi Long; Chen, Zhi Hui
  • Nature Materials, Vol. 17, Issue 1
  • DOI: 10.1038/nmat5028

Configurable topological textures in strain graded ferroelectric nanoplates
journal, January 2018


Domain wall nanoelectronics
journal, February 2012


Phase field simulation of charged interface formation during ferroelectric switching
journal, June 2016


Nonvolatile ferroelectric domain wall memory
journal, June 2017


Giant Resistive Switching via Control of Ferroelectric Charged Domain Walls
journal, May 2016

  • Li, Linze; Britson, Jason; Jokisaari, Jacob R.
  • Advanced Materials, Vol. 28, Issue 31
  • DOI: 10.1002/adma.201600160

High-density array of ferroelectric nanodots with robust and reversibly switchable topological domain states
journal, August 2017


Topological Structures in Multiferroics - Domain Walls, Skyrmions and Vortices
journal, December 2015

  • Seidel, Jan; Vasudevan, Rama K.; Valanoor, Nagarajan
  • Advanced Electronic Materials, Vol. 2, Issue 1
  • DOI: 10.1002/aelm.201500292

Observation of a periodic array of flux-closure quadrants in strained ferroelectric PbTiO3 films
journal, April 2015


Controllable conductive readout in self-assembled, topologically confined ferroelectric domain walls
journal, July 2018


Exploring Topological Defects in Epitaxial BiFeO 3 Thin Films
journal, January 2011

  • Vasudevan, Rama K.; Chen, Yi-Chun; Tai, Hsiang-Hua
  • ACS Nano, Vol. 5, Issue 2
  • DOI: 10.1021/nn102099z

Theory of strain phase separation and strain spinodal: Applications to ferroelastic and ferroelectric systems
journal, July 2017


Three-dimensional phase-field simulation of domain structures in ferroelectric islands
journal, March 2008

  • Zhang, J. X.; Wu, R.; Choudhury, S.
  • Applied Physics Letters, Vol. 92, Issue 12
  • DOI: 10.1063/1.2903107

Electric Field Writing of Ferroelectric Nano-Domains Near 71° Domain Walls with Switchable Interfacial Conductivity
journal, July 2018


Atomic-Scale Evolution of Local Electronic Structure Across Multiferroic Domain Walls
journal, February 2011

  • Chiu, Ya-Ping; Chen, Yu-Ting; Huang, Bo-Chao
  • Advanced Materials, Vol. 23, Issue 13
  • DOI: 10.1002/adma.201004143

Works referencing / citing this record:

Self-assembly growth of a multiferroic topological nanoisland array
journal, January 2019


Geometry confined polar vertex domains in self-assembled BiFeO 3 nano-islands
journal, May 2019


Phase-field simulations of surface charge-induced polarization switching
journal, March 2019

  • Liu, Di; Zhao, Ru; Jafri, Hasnain Mehdi
  • Applied Physics Letters, Vol. 114, Issue 11
  • DOI: 10.1063/1.5083126