,Research with KNbO3 Bulk and Surface Properties Based on Density Functional Theory

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Potassium niobate (KNbO3) as a ferroelectric material has been intensively studied due to its excellent properties,such as large piezoelectric constant,large electromechanical coupling coefficient,large electro-optic coefficient and large nonlinear optical coefficient.[1-4] KNbO3 is considered to be a promising material for nonlinear optical and electrooptical applications.However,previous reports have mainly focused on the preparation of KNbO3 thin films on MgO (100),Al2O3 (100),and KTaO3 (100)substrates.[5-11] Few studies have discussed the differences in the properties of KNbOa bulk and surface.
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