Temperature-pressure phase diagram and ferroelectric properties of BaTiO3 single crystal based on a modified Landau potential

J. J. Wang; P. P. Wu; X. Q. Ma; L. Q. Chen

doi:10.1063/1.3504194

Temperature-pressure phase diagram and ferroelectric properties of BaTiO₃ single crystal based on a modified Landau potential

J. J. Wang, P. P. Wu, X. Q. Ma, L. Q. Chen

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Abstract

A modified eighth-order Landau potential was proposed for the BaTiO ₃ single crystal by taking account into the quantum mechanical effects at low temperature. While all existing thermodynamic potentials for BaTiO₃ fail to accurately describe the pressure dependence of ferroelectric transition temperatures, the temperature and hydrostatic pressure phase diagram constructed using the modified potential shows excellent agreement with experimental measurements by Ishidate, Abe, Takahashi, and Mori [Phys. Rev. Lett. 78, 2397 (1997)]. On the basis of the new proposed Landau potential, we calculated the dielectric coefficients, spontaneous polarizations, temperature-electric field phase diagram, and piezoelectric coefficients, all in good agreement well with existing experimental data.

Original language	English (US)
Article number	114105
Journal	Journal of Applied Physics
Volume	108
Issue number	11
DOIs	https://doi.org/10.1063/1.3504194
State	Published - Dec 1 2010

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

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10.1063/1.3504194

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@article{f40462afe14f402f891bfdea825da8ba,

title = "Temperature-pressure phase diagram and ferroelectric properties of BaTiO3 single crystal based on a modified Landau potential",

abstract = "A modified eighth-order Landau potential was proposed for the BaTiO 3 single crystal by taking account into the quantum mechanical effects at low temperature. While all existing thermodynamic potentials for BaTiO3 fail to accurately describe the pressure dependence of ferroelectric transition temperatures, the temperature and hydrostatic pressure phase diagram constructed using the modified potential shows excellent agreement with experimental measurements by Ishidate, Abe, Takahashi, and Mori [Phys. Rev. Lett. 78, 2397 (1997)]. On the basis of the new proposed Landau potential, we calculated the dielectric coefficients, spontaneous polarizations, temperature-electric field phase diagram, and piezoelectric coefficients, all in good agreement well with existing experimental data.",

author = "Wang, {J. J.} and Wu, {P. P.} and Ma, {X. Q.} and Chen, {L. Q.}",

note = "Funding Information: This work was partially sponsored by the Project-Based Personnel Exchange Program by the China Scholarship Council and American Academic Exchange Service [(2008) 3012] National Science Foundation of China under Grant No. 50428101 and partially funded by NSF WMN Program under Grant No. DMR0908718 and NIRT Program under Grant No. DMR-0507146. The computations were performed using the Cyberstar cluster at the Pennsylvania State University, funded by the National Science Foundation through Grant No. OCI-0821527.",

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doi = "10.1063/1.3504194",

language = "English (US)",

volume = "108",

journal = "Journal of Applied Physics",

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AU - Wang, J. J.

AU - Wu, P. P.

AU - Ma, X. Q.

AU - Chen, L. Q.

N1 - Funding Information: This work was partially sponsored by the Project-Based Personnel Exchange Program by the China Scholarship Council and American Academic Exchange Service [(2008) 3012] National Science Foundation of China under Grant No. 50428101 and partially funded by NSF WMN Program under Grant No. DMR0908718 and NIRT Program under Grant No. DMR-0507146. The computations were performed using the Cyberstar cluster at the Pennsylvania State University, funded by the National Science Foundation through Grant No. OCI-0821527.

PY - 2010/12/1

Y1 - 2010/12/1

N2 - A modified eighth-order Landau potential was proposed for the BaTiO 3 single crystal by taking account into the quantum mechanical effects at low temperature. While all existing thermodynamic potentials for BaTiO3 fail to accurately describe the pressure dependence of ferroelectric transition temperatures, the temperature and hydrostatic pressure phase diagram constructed using the modified potential shows excellent agreement with experimental measurements by Ishidate, Abe, Takahashi, and Mori [Phys. Rev. Lett. 78, 2397 (1997)]. On the basis of the new proposed Landau potential, we calculated the dielectric coefficients, spontaneous polarizations, temperature-electric field phase diagram, and piezoelectric coefficients, all in good agreement well with existing experimental data.

AB - A modified eighth-order Landau potential was proposed for the BaTiO 3 single crystal by taking account into the quantum mechanical effects at low temperature. While all existing thermodynamic potentials for BaTiO3 fail to accurately describe the pressure dependence of ferroelectric transition temperatures, the temperature and hydrostatic pressure phase diagram constructed using the modified potential shows excellent agreement with experimental measurements by Ishidate, Abe, Takahashi, and Mori [Phys. Rev. Lett. 78, 2397 (1997)]. On the basis of the new proposed Landau potential, we calculated the dielectric coefficients, spontaneous polarizations, temperature-electric field phase diagram, and piezoelectric coefficients, all in good agreement well with existing experimental data.

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Temperature-pressure phase diagram and ferroelectric properties of BaTiO₃ single crystal based on a modified Landau potential

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