Phase transitions and domain stabilities in biaxially strained (001) SrTiO3 epitaxial thin films

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

doi:10.1063/1.3488636

Phase transitions and domain stabilities in biaxially strained (001) SrTiO₃ epitaxial thin films

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

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Abstract

We applied phase-field approach to investigate both ferroelectric and antiferrodistortive transitions in (001) SrTiO₃ epitaxial thin films that are strained biaxially. A domain/phase stability diagram of "misfit strain-temperature" was constructed for equibiaxially strained (001) SrTiO₃ thin films, which exhibits significant differences from previous diagrams obtained using thermodynamic analysis of a single domain. For unequibiaxially strained (001) SrTiO₃ thin films, "misfit strain-misfit strain" domain stability diagrams at several representative temperatures were obtained. The predicted phase transitions, domain stabilities, and domain structures in three different SrTiO₃ thin films under either equibiaxial or unequibiaxial strains agree well with experimental observations.

Original language	English (US)
Article number	084113
Journal	Journal of Applied Physics
Volume	108
Issue number	8
DOIs	https://doi.org/10.1063/1.3488636
State	Published - Oct 15 2010

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

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10.1063/1.3488636

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@article{7af050b07ea1469784acd33e3996362b,

title = "Phase transitions and domain stabilities in biaxially strained (001) SrTiO3 epitaxial thin films",

abstract = "We applied phase-field approach to investigate both ferroelectric and antiferrodistortive transitions in (001) SrTiO3 epitaxial thin films that are strained biaxially. A domain/phase stability diagram of {"}misfit strain-temperature{"} was constructed for equibiaxially strained (001) SrTiO3 thin films, which exhibits significant differences from previous diagrams obtained using thermodynamic analysis of a single domain. For unequibiaxially strained (001) SrTiO3 thin films, {"}misfit strain-misfit strain{"} domain stability diagrams at several representative temperatures were obtained. The predicted phase transitions, domain stabilities, and domain structures in three different SrTiO3 thin films under either equibiaxial or unequibiaxial strains agree well with experimental observations.",

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

note = "Funding Information: This work was supported by the DOE under the Grant No. DOE DE-FG02-07ER46417 (Sheng and Chen) and NSF under Grant No. IIP-0737759 (Liu). The computer simulations were carried out on the LION clusters at the Pennsylvania State University supported in part by the NSF grants (Grant Nos. DMR-0820404, DMR-0908718, 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. The work at Los Alamos National Laboratory was supported by DOE through the LANL/LDRD Program and the Center for Integrated Nanotechnologies (Q. X. Jia).",

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doi = "10.1063/1.3488636",

language = "English (US)",

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T1 - Phase transitions and domain stabilities in biaxially strained (001) SrTiO3 epitaxial thin films

AU - Sheng, G.

AU - Li, Y. L.

AU - Zhang, J. X.

AU - Choudhury, S.

AU - Jia, Q. X.

AU - Gopalan, V.

AU - Schlom, D. G.

AU - Liu, Z. K.

AU - Chen, L. Q.

N1 - Funding Information: This work was supported by the DOE under the Grant No. DOE DE-FG02-07ER46417 (Sheng and Chen) and NSF under Grant No. IIP-0737759 (Liu). The computer simulations were carried out on the LION clusters at the Pennsylvania State University supported in part by the NSF grants (Grant Nos. DMR-0820404, DMR-0908718, 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. The work at Los Alamos National Laboratory was supported by DOE through the LANL/LDRD Program and the Center for Integrated Nanotechnologies (Q. X. Jia).

PY - 2010/10/15

Y1 - 2010/10/15

N2 - We applied phase-field approach to investigate both ferroelectric and antiferrodistortive transitions in (001) SrTiO3 epitaxial thin films that are strained biaxially. A domain/phase stability diagram of "misfit strain-temperature" was constructed for equibiaxially strained (001) SrTiO3 thin films, which exhibits significant differences from previous diagrams obtained using thermodynamic analysis of a single domain. For unequibiaxially strained (001) SrTiO3 thin films, "misfit strain-misfit strain" domain stability diagrams at several representative temperatures were obtained. The predicted phase transitions, domain stabilities, and domain structures in three different SrTiO3 thin films under either equibiaxial or unequibiaxial strains agree well with experimental observations.

AB - We applied phase-field approach to investigate both ferroelectric and antiferrodistortive transitions in (001) SrTiO3 epitaxial thin films that are strained biaxially. A domain/phase stability diagram of "misfit strain-temperature" was constructed for equibiaxially strained (001) SrTiO3 thin films, which exhibits significant differences from previous diagrams obtained using thermodynamic analysis of a single domain. For unequibiaxially strained (001) SrTiO3 thin films, "misfit strain-misfit strain" domain stability diagrams at several representative temperatures were obtained. The predicted phase transitions, domain stabilities, and domain structures in three different SrTiO3 thin films under either equibiaxial or unequibiaxial strains agree well with experimental observations.

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Phase transitions and domain stabilities in biaxially strained (001) SrTiO₃ epitaxial thin films

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