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- W2085471009 abstract "Molecular materials with a polar arrangement of the constituent dipoles are good candidates for exhibiting piezoelectric properties directly related to the strain-induced polarization. We assess, from first principles, the properties of the metal-organic molecular crystal (4-dimethylaminopyridyl)bis(acetylacetato)zinc(II) in presence of strain. The spontaneous polarization and the piezoelectric properties are studied by means of the modern theory of polarization. The cooperative interaction among molecular chains is shown to lead to a collective polarization enhancement effect. Some theoretical issues concerning the multivalued behavior of the Berry phase are also illustrated." @default.
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- W2085471009 date "2009-03-31" @default.
- W2085471009 modified "2023-10-16" @default.
- W2085471009 title "Spontaneous polarization and piezoelectricity in polar molecular crystals" @default.
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- W2085471009 doi "https://doi.org/10.1103/physrevb.79.125126" @default.
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