Abstract
On the basis of crystallographic data of various pure and doped lithium niobate crystals, Pauling's rules, the bond valence sum model and the chemical bond method are employed to understand crystallographic modifications of physical properties of lithium niobate crystals. The physical properties such as dielectric responses (including the principal refractive indices and second-order nonlinear optical coefficients), the spontaneous polarization and the spontaneous strain are quantitatively or qualitatively studied. The present work shows that the vacant site in the lithium niobate crystallographic frame constructs a useful buffer for Li + and Nb 5+ cations to balance their strong interaction, which is not energetically available for any cation; the Nb 5+-site can give a strong effect on the mechanical properties of crystals, which is tremendously important for the crystal growth; the Li +-site is closely correlated to the dielectric properties of crystals, which is an active and sensitive lattice site available for various dopants with the valence ranging from +1 to +5.
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