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- W2158513711 abstract "The bond-valence sum approach to spontaneous valence polarization in perovskite-like nanocrystallites ABO3 is presented. As the bond-valence method allows estimating the amount of valence charge distributed within the given bond according to bond length, the microscopic polarization in the ABO3 structure may be directly derived from the valence deviation in two conjunctive bonding spheres A-O12 and B-O6. The concept was demonstrated on examples and a comparable agreement with data taken either from experiments or first principle calculation was seen. The bond-valence polarization appeared as one of the possible sources contributing to the final macroscopic polarization of the bulk materials." @default.
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- W2158513711 date "2009-09-01" @default.
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- W2158513711 title "A simple method for estimating of spontaneous polarization in perovskite-like nanocrystallites" @default.
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- W2158513711 doi "https://doi.org/10.1088/1742-6596/187/1/012080" @default.
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