E. Svab et al., SEMIEMPIRICAL FITTING OF PARTIAL PAIR CORRELATION-FUNCTIONS OF AMORPHOUS-ALLOYS, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 50(12), 1995, pp. 1205-1210
A semi-empirical fitting procedure has been developed and used in anal
ysing the characteristic features of the partial structure factors of
binary amorphous alloys. An analytical formula is given to fit the exp
erimental atomic pair correlation function as a sum of Gaussians. The
inverse Fourier transform of the fitted terms reproduces all features
of the experimental structure function. In addition to the structural
parameters, the modelling gives a quantitative explanation for the com
plex origin of characteristic features in the diffraction pattern such
as pre-peak, pre-minimum, and split peaks in the partial structure fa
ctor.