We developed a general procedure for quantitative structural refinement of superlattice structures. To analyze a wide range of superlattices, we derived a general kinematics diffraction formula that includes random, continuous and discrete fluctuations from the average structure.

SUPREX is a program based on a nonlinear fitting algorithm to fit the entire X-ray diffraction profile that allows to qualitative determine both lattice constants and disorder parameters (like roughness) of a wide variety of superlattices.

You can get the SUPREX program by clicking in the download button below.

Please Note: We no longer support this software. We will not be able to help you with bugs or adding additional materials.

If you use this program to analyze your data, then please:

  1. make reference to the following papers:
    • Ivan K. Schuller, Phys. Rev. Lett. 44, 1597 (1980), which describes the original step model and some limited refinement.
    • W. Sevenhans, M. Gijs, Y. Bruynseraede, H. Homma and Ivan K. Schuller, Rap. Comm-Phys. Rev. B 34, 5955 (1986), which describes the effect of the roughness on the X-ray line broadening.
    • E. Fullerton, Ivan K. Schuller, H. Vanderstraeten and Y. Bruynseraede, Phys. Rev. B 45, 9292 (1992), which describes the methodology used here.
    • D. M. Kelly, E. E Fullerton, J. Santamaria and I. K. Schuller, Scripta Met. Mat. 33, 1603 (1995).
  2. send us a copy of the paper.

Check out some examples of X-ray fitting using SUPREX.

Download SuPReX Fitting program.

(c) 2007 Ivan K. Schuller       -       designed by Thomas Gredig