DEPENDENCE OF PHASE-SHIFT ON CHEMICAL ENVIRONMENT IN EXTENDED X-RAY ABSORPTION FINE-STRUCTURE

The coefficient of the term linearly dependent on K, alpha(j), in the phase shift is calculated from the theoretical phase functions of Teo and Lee and from experimental extended X-ray absorption fine structure (EXAFS) data for 3 d transition metal systems of manganese, cobalt, and copper. Attempts are made to explain the behaviour of the phase shift of a given atom pair in different chemical surroundings. The dependence of alpha(j) on chemical shift and partial charge is also studied.