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Thermo-electromechanical response of a ferroelectric perovskite from molecular dynamics simulations
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10.1063/1.3646377
/content/aip/journal/apl/99/14/10.1063/1.3646377
http://aip.metastore.ingenta.com/content/aip/journal/apl/99/14/10.1063/1.3646377
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Average (a) lattice parameters and (b) polarization for PbTiO3 as a function of temperature.

Image of FIG. 2.
FIG. 2.

(Color online) (a) Polarization-electric field (hysteresis loop) and (b) strain-electric field for PbTiO3.

Image of FIG. 3.
FIG. 3.

(Color online) Polarization switching process as a function of simulation time. The arrow gives the direction of the projected polarization in the middle xz plane. The arrow length indicates the projected magnitude.

Image of FIG. 4.
FIG. 4.

(Color online) Piezoelectric charge coefficient d33 and d31 plotted vs. temperature. The diamond-shaped data point is an experimental room temperature value of d33 and d31 from Ref. 12. The circular data points and solid curve are the experimentally measured temperature dependence of d31 from Ref. 12. The dashed curve is from MD.

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/content/aip/journal/apl/99/14/10.1063/1.3646377
2011-10-04
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Thermo-electromechanical response of a ferroelectric perovskite from molecular dynamics simulations
http://aip.metastore.ingenta.com/content/aip/journal/apl/99/14/10.1063/1.3646377
10.1063/1.3646377
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