A modified Landau-Devonshire thermodynamic potential for strontium titanate

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:10.1063/1.3442915

A modified Landau-Devonshire thermodynamic potential for strontium titanate

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

The range of reported values of the Landau energy coefficients of bulk SrTiO₃ leads to uncertainty in not only the magnitude but also the direction of the calculated spontaneous polarization in SrTiO₃ thin films in a state of biaxial tension. In this study, we use experimental results from strained SrTiO₃ films together with phase-field simulations to refine the values of the Landau energy coefficients and report a modified thermodynamic potential for bulk strontium titanate. The transition temperatures and ferroelectric/antiferrodistortive domain stabilities predicted from this modified potential agree well with measurements on biaxially strained SrTiO ₃ thin films.

Original language	English (US)
Article number	232902
Journal	Applied Physics Letters
Volume	96
Issue number	23
DOIs	https://doi.org/10.1063/1.3442915
State	Published - 2010

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

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10.1063/1.3442915

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@article{718704685fe1487bbce3ff6aabd691bb,

title = "A modified Landau-Devonshire thermodynamic potential for strontium titanate",

abstract = "The range of reported values of the Landau energy coefficients of bulk SrTiO3 leads to uncertainty in not only the magnitude but also the direction of the calculated spontaneous polarization in SrTiO3 thin films in a state of biaxial tension. In this study, we use experimental results from strained SrTiO3 films together with phase-field simulations to refine the values of the Landau energy coefficients and report a modified thermodynamic potential for bulk strontium titanate. The transition temperatures and ferroelectric/antiferrodistortive domain stabilities predicted from this modified potential agree well with measurements on biaxially strained SrTiO 3 thin films.",

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 PSU supported in part by the NSF (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 PSU. The work at LANL was supported by DOE through the LANL/LDRD Program and the Center for Integrated Nanotechnologies (Jia).",

year = "2010",

doi = "10.1063/1.3442915",

language = "English (US)",

volume = "96",

journal = "Applied Physics Letters",

issn = "0003-6951",

publisher = "American Institute of Physics",

number = "23",

}

TY - JOUR

T1 - A modified Landau-Devonshire thermodynamic potential for strontium titanate

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 PSU supported in part by the NSF (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 PSU. The work at LANL was supported by DOE through the LANL/LDRD Program and the Center for Integrated Nanotechnologies (Jia).

PY - 2010

Y1 - 2010

N2 - The range of reported values of the Landau energy coefficients of bulk SrTiO3 leads to uncertainty in not only the magnitude but also the direction of the calculated spontaneous polarization in SrTiO3 thin films in a state of biaxial tension. In this study, we use experimental results from strained SrTiO3 films together with phase-field simulations to refine the values of the Landau energy coefficients and report a modified thermodynamic potential for bulk strontium titanate. The transition temperatures and ferroelectric/antiferrodistortive domain stabilities predicted from this modified potential agree well with measurements on biaxially strained SrTiO 3 thin films.

AB - The range of reported values of the Landau energy coefficients of bulk SrTiO3 leads to uncertainty in not only the magnitude but also the direction of the calculated spontaneous polarization in SrTiO3 thin films in a state of biaxial tension. In this study, we use experimental results from strained SrTiO3 films together with phase-field simulations to refine the values of the Landau energy coefficients and report a modified thermodynamic potential for bulk strontium titanate. The transition temperatures and ferroelectric/antiferrodistortive domain stabilities predicted from this modified potential agree well with measurements on biaxially strained SrTiO 3 thin films.

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U2 - 10.1063/1.3442915

DO - 10.1063/1.3442915

M3 - Article

AN - SCOPUS:77953498538

SN - 0003-6951

VL - 96

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 23

M1 - 232902

ER -

A modified Landau-Devonshire thermodynamic potential for strontium titanate

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