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- W2090814143 abstract "A novel polar oxide of ZnSnO3 with LiNbO3-type structure has been investigated using first-principles density functional theory. The calculated pressure dependence of the phase stability in the ternary Zn2+Sn4+O2− system confirms the experimental results and detailed mechanism of the pressure-induced phase transition (see Fig.). High spontaneous polarization of 56.9 °C cm−2 is calculated by the Berry-phase approach, and it is attributed to the large displacement of Zn2+ and its strong ionicity. Further improvement of the spontaneous polarization is suggested by enhancing the covalency of Sn4+ sites." @default.
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- W2090814143 date "2010-05-05" @default.
- W2090814143 modified "2023-10-06" @default.
- W2090814143 title "First-Principles Studies on Novel Polar Oxide ZnSnO3; Pressure-Induced Phase Transition and Electric Properties" @default.
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- W2090814143 doi "https://doi.org/10.1002/adma.200903432" @default.
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