Optimization of data end points and taper width in extended absorption fine-structure analysis

Abstract

The dependence of deduced interatomic spacing and inner potential on the lower and upper limits of integration, k1 and k2, as well as the taper width D, was studied for extended absorption fine structure using sinusoidal model data. The optimal values are achieved when 2(k1+k2)R or 2(k2?k1?D)R equals an odd half-integral multiple of pi (rather than when 2k1R and 2k2R are integral multiples of pi), where R is the spacing. Analytic approximations are used to elucidate numerical computations. Optimization of D is also discussed.