Domain stability of PbTiO3 thin films under anisotropic misfit strains: Phase-field simulations

G. Sheng; J. X. Zhang; Y. L. Li; S. Choudhury; Q. X. Jia; Z. K. Liu; L. Q. Chen

doi:10.1063/1.2974093

Domain stability of PbTiO3 thin films under anisotropic misfit strains: Phase-field simulations

G. Sheng
, J. X. Zhang
, Y. L. Li
, S. Choudhury
, Q. X. Jia
, Z. K. Liu
, L. Q. Chen

Materials Science and Engineering

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

58 Scopus citations

Abstract

The domain stability and domain structures of (001)-oriented PbTiO ₃ ferroelectric thin films subject to anisotropic in-plane strains were studied using phase-field method. Based on the simulation results, a room temperature domain/phase stability diagram was constructed for PbTiO₃ thin films with the in-plane strains ranging from -5% to 5%. The predicted diagram is both quantitatively and qualitatively different from those obtained using thermodynamic calculations based on a single-domain assumption.

Original language	English (US)
Article number	054105
Journal	Journal of Applied Physics
Volume	104
Issue number	5
DOIs	https://doi.org/10.1063/1.2974093
State	Published - 2008

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

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10.1063/1.2974093

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@article{47b261d16a494f39bc8e159140933fff,

title = "Domain stability of PbTiO3 thin films under anisotropic misfit strains: Phase-field simulations",

abstract = "The domain stability and domain structures of (001)-oriented PbTiO 3 ferroelectric thin films subject to anisotropic in-plane strains were studied using phase-field method. Based on the simulation results, a room temperature domain/phase stability diagram was constructed for PbTiO3 thin films with the in-plane strains ranging from -5\% to 5\%. The predicted diagram is both quantitatively and qualitatively different from those obtained using thermodynamic calculations based on a single-domain assumption.",

author = "G. Sheng and Zhang, \{J. X.\} and Li, \{Y. L.\} and S. Choudhury and Jia, \{Q. X.\} and Liu, \{Z. K.\} and Chen, \{L. Q.\}",

note = "Funding Information: The authors are grateful for the financial support from the National Science Foundation (NSF) through Grant Nos. DMR-0205232 and DMR-0507146, Los Alamos National Laboratory, and from the Department of Energy under Grant No. DOE DE-FG02–07ER46417. The computer simulations were carried out on the LION clusters at the Pennsylvania State University supported in part by the NSF grants (Nos. DMR-9983532 and DMR-0122638) and in part by the Materials Simulation Center and the Graduate Education and Research Services at The Pennsylvania State University.",

year = "2008",

doi = "10.1063/1.2974093",

language = "English (US)",

volume = "104",

journal = "Journal of Applied Physics",

issn = "0021-8979",

publisher = "American Institute of Physics",

number = "5",

}

TY - JOUR

T1 - Domain stability of PbTiO3 thin films under anisotropic misfit strains

T2 - Phase-field simulations

AU - Sheng, G.

AU - Zhang, J. X.

AU - Li, Y. L.

AU - Choudhury, S.

AU - Jia, Q. X.

AU - Liu, Z. K.

AU - Chen, L. Q.

N1 - Funding Information: The authors are grateful for the financial support from the National Science Foundation (NSF) through Grant Nos. DMR-0205232 and DMR-0507146, Los Alamos National Laboratory, and from the Department of Energy under Grant No. DOE DE-FG02–07ER46417. The computer simulations were carried out on the LION clusters at the Pennsylvania State University supported in part by the NSF grants (Nos. DMR-9983532 and DMR-0122638) and in part by the Materials Simulation Center and the Graduate Education and Research Services at The Pennsylvania State University.

PY - 2008

Y1 - 2008

N2 - The domain stability and domain structures of (001)-oriented PbTiO 3 ferroelectric thin films subject to anisotropic in-plane strains were studied using phase-field method. Based on the simulation results, a room temperature domain/phase stability diagram was constructed for PbTiO3 thin films with the in-plane strains ranging from -5% to 5%. The predicted diagram is both quantitatively and qualitatively different from those obtained using thermodynamic calculations based on a single-domain assumption.

AB - The domain stability and domain structures of (001)-oriented PbTiO 3 ferroelectric thin films subject to anisotropic in-plane strains were studied using phase-field method. Based on the simulation results, a room temperature domain/phase stability diagram was constructed for PbTiO3 thin films with the in-plane strains ranging from -5% to 5%. The predicted diagram is both quantitatively and qualitatively different from those obtained using thermodynamic calculations based on a single-domain assumption.

UR - https://www.scopus.com/pages/publications/51849168978

UR - https://www.scopus.com/pages/publications/51849168978#tab=citedBy

U2 - 10.1063/1.2974093

DO - 10.1063/1.2974093

M3 - Article

AN - SCOPUS:51849168978

SN - 0021-8979

VL - 104

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 5

M1 - 054105

ER -

Domain stability of PbTiO3 thin films under anisotropic misfit strains: Phase-field simulations

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