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Critical thickness for ferroelectricity of by first-principles calculations
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10.1063/1.1915508
/content/aip/journal/apl/86/22/10.1063/1.1915508
http://aip.metastore.ingenta.com/content/aip/journal/apl/86/22/10.1063/1.1915508
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

A cluster embedded at the center of a 3D point-charge array.

Image of FIG. 2.
FIG. 2.

Bond overlap populations (, Ba, Ti) between the central Ti ion and the first-nearest-neighboring O, the second Ba, or the third Ti ions, and (, Ti, Ba) between the Ba and the first-nearest-neighboring O, the second Ti, or third Ba ions.

Image of FIG. 3.
FIG. 3.

Plots of the overlap population between and orbitals of the ion against model cluster thickness.

Image of FIG. 4.
FIG. 4.

Plots of the net charges of the ion against particle thickness.

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/content/aip/journal/apl/86/22/10.1063/1.1915508
2005-05-24
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Critical thickness for ferroelectricity of BaTiO3 by first-principles calculations
http://aip.metastore.ingenta.com/content/aip/journal/apl/86/22/10.1063/1.1915508
10.1063/1.1915508
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