Phase-field simulations of thickness-dependent domain stability in PbTiO 3 thin films

G. Sheng; J. M. Hu; J. X. Zhang; Y. L. Li; Z. K. Liu; L. Q. Chen

doi:10.1016/j.actamat.2012.03.003

Phase-field simulations of thickness-dependent domain stability in PbTiO ₃ thin films

G. Sheng, J. M. Hu, J. X. Zhang, Y. L. Li, Z. K. Liu, L. Q. Chen

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

14 Scopus citations

Abstract

The phase-field approach is used to predict the effect of thickness on domain stability in ferroelectric thin films. The mechanism of strain relaxation and the critical thickness for dislocation formation from both the Matthews-Blakeslee and People-Bean models are employed. Thickness-strain domain stability diagrams are obtained for PbTiO ₃ thin films for different strain relaxation models. The relative domain fractions as a function of film thickness are also calculated and compared with experimental measurements in PbTiO ₃ thin films grown on SrTiO ₃ and KTaO ₃ substrates.

Original language	English (US)
Pages (from-to)	3296-3301
Number of pages	6
Journal	Acta Materialia
Volume	60
Issue number	8
DOIs	https://doi.org/10.1016/j.actamat.2012.03.003
State	Published - May 2012

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Polymers and Plastics
Metals and Alloys

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10.1016/j.actamat.2012.03.003

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title = "Phase-field simulations of thickness-dependent domain stability in PbTiO 3 thin films",

abstract = "The phase-field approach is used to predict the effect of thickness on domain stability in ferroelectric thin films. The mechanism of strain relaxation and the critical thickness for dislocation formation from both the Matthews-Blakeslee and People-Bean models are employed. Thickness-strain domain stability diagrams are obtained for PbTiO 3 thin films for different strain relaxation models. The relative domain fractions as a function of film thickness are also calculated and compared with experimental measurements in PbTiO 3 thin films grown on SrTiO 3 and KTaO 3 substrates.",

author = "G. Sheng and Hu, {J. M.} and Zhang, {J. X.} and Li, {Y. L.} and Liu, {Z. K.} and Chen, {L. Q.}",

note = "Funding Information: The authors are grateful for financial support from the Department of Energy Basic Sciences under Grant No. DOE DE-FG02-07ER46417. The computer simulations were carried out on the LION clusters at The Pennsylvania State University, in part supported by instrumentation (cyberstar Linux cluster) funded by the National Science Foundation through Grant OCI-0821527 and in part by the Materials Simulation Center and the Graduate Education and Research Services at The Pennsylvania State University.",

year = "2012",

month = may,

doi = "10.1016/j.actamat.2012.03.003",

language = "English (US)",

volume = "60",

pages = "3296--3301",

journal = "Acta Materialia",

issn = "1359-6454",

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AU - Sheng, G.

AU - Hu, J. M.

AU - Zhang, J. X.

AU - Li, Y. L.

AU - Liu, Z. K.

AU - Chen, L. Q.

N1 - Funding Information: The authors are grateful for financial support from the Department of Energy Basic Sciences under Grant No. DOE DE-FG02-07ER46417. The computer simulations were carried out on the LION clusters at The Pennsylvania State University, in part supported by instrumentation (cyberstar Linux cluster) funded by the National Science Foundation through Grant OCI-0821527 and in part by the Materials Simulation Center and the Graduate Education and Research Services at The Pennsylvania State University.

PY - 2012/5

Y1 - 2012/5

N2 - The phase-field approach is used to predict the effect of thickness on domain stability in ferroelectric thin films. The mechanism of strain relaxation and the critical thickness for dislocation formation from both the Matthews-Blakeslee and People-Bean models are employed. Thickness-strain domain stability diagrams are obtained for PbTiO 3 thin films for different strain relaxation models. The relative domain fractions as a function of film thickness are also calculated and compared with experimental measurements in PbTiO 3 thin films grown on SrTiO 3 and KTaO 3 substrates.

AB - The phase-field approach is used to predict the effect of thickness on domain stability in ferroelectric thin films. The mechanism of strain relaxation and the critical thickness for dislocation formation from both the Matthews-Blakeslee and People-Bean models are employed. Thickness-strain domain stability diagrams are obtained for PbTiO 3 thin films for different strain relaxation models. The relative domain fractions as a function of film thickness are also calculated and compared with experimental measurements in PbTiO 3 thin films grown on SrTiO 3 and KTaO 3 substrates.

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JO - Acta Materialia

JF - Acta Materialia

IS - 8

ER -

Phase-field simulations of thickness-dependent domain stability in PbTiO ₃ thin films

Abstract

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