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A method is proposed for estimation of mean refractive index of a compound which chemical composition is known. This method is based on using of systems of electronic polarizabilities of ions and ionic radii in crystals. Applicability of the method has been tested for a representative set of ∼100 known inorganic noncentrosymmetric crystals. It has been shown that mean refractive index can be predicted...
Universal method has been proposed for calculation of polyhedra space formation of each cation in the crystal lattice. Generation of simple, chain, layer and frame formations has been predicted and verified for non-centrosymmetric oxide crystals widely used in nonlinear optics.
A method is proposed for estimation of mean refractive index of complex oxide crystals on the basis of nominal chemical composition. Applicability of the method has been tested for a set of ~100 inorganic oxide crystals with averaged error as low as ~5%. The method allows the design of new oxide materials with adjusted refraction index in unknown chemical systems.
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