Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO3-Reference-Cited by-同舟云学术

Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO3

Published:2019 Issue:33 Volume:21 Page:18240-18249
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Akbarian Dooman¹²³^ORCID,Yilmaz Dundar E.¹²³,Cao Ye⁴⁵⁶³⁷,Ganesh P.⁴⁵⁶³^ORCID,Dabo Ismaila⁸⁹¹⁰³,Munro Jason⁸⁹¹⁰³,Van Ginhoven Renee¹¹¹²³,van Duin Adri C. T.¹²³

Affiliation:

1. Department of Mechanical Engineering

2. Pennsylvania State University

3. USA

4. Center for Nanophase Materials Sciences

5. Oak Ridge National Laboratory

6. Oak Ridge

7. Department of Materials Science and Engineering

8. Department of Materials Science and Engineering and Materials Research Institute

9. The Pennsylvania State University

10. Pennsylvania 16802

11. Air Force Research Laboratory (AFRL)

12. Kirtland AFB

Abstract

Interaction of oxygen vacancies in BaTiO₃ as simulated using the ReaxFF reactive force field.

Funder

Natural Sciences and Engineering Research Council of Canada

Air Force Research Laboratory

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP02955A

Reference82 articles.

1. K. M. Rabe , C. H.Ahn and J.-M.Triscone , Physics of ferroelectrics: a modern perspective , Springer Science & Business Media , 2007 , vol. 105

2. Y. Xu , Ferroelectric materials and their applications , Elsevier , 2013

3. Ferroelectric materials for electromechanical transducer applications

4. Piezoelectric and ferroelectric materials and structures for energy harvesting applications

5. Ferroelectric thin films: Review of materials, properties, and applications

Cited by 53 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Limits of high-frequency polarization switching in BaTiO3;Applied Physics Letters;2024-09-02

2. Molecular dynamics simulations on ferroelectricity of AlN thin films;Journal of the American Ceramic Society;2024-08-18

3. ReaxFF Reactive Force Field for Exploring Electronically Switchable Polarization in Zn_1–xMg_xO Ferroelectric Semiconductors;The Journal of Physical Chemistry C;2024-07-23

4. The influence of hydrogen and oxygen vacancy concentrations on diffusion coefficients of oxide and hydride ions in reduced barium titanate oxyhydride using molecular dynamics simulation;Physica B: Condensed Matter;2024-04

5. Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations;Applied Physics Letters;2024-03-25