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Y–O hybridization in the ferroelectric transition of
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10.1063/1.3233943
/content/aip/journal/apl/95/13/10.1063/1.3233943
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/13/10.1063/1.3233943
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(a) Structure of the FE : (b) and (c) are three-dimensional electron density distribution of obtained by MPF analysis at 1000 and 910 K, respectively. Isosurface density level is equal to . The depicted size is slightly enlarged along direction to clearly see the bonding in Y1-O3.

Image of FIG. 2.
FIG. 2.

Temperature dependence of minimum electron density between Y1 and O3 ions and the bond distance. The temperature dependence of isotropic thermal parameter of the Y1 ion is shown in the inset. The lines are for eye guidance.

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/content/aip/journal/apl/95/13/10.1063/1.3233943
2009-09-28
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Y–O hybridization in the ferroelectric transition of YMnO3
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/13/10.1063/1.3233943
10.1063/1.3233943
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