FULLPROF as a new tool for flipping ratio analysis

We have added to FULLPROF new facilities to analyze flipping ratio (FR) data. The subroutines developed describe the total magnetization density as the sum of monoatomic contributions. Each monoatomic magnetization density (m,) can be described by two different approaches. The first one (density approach) assumes that m(s) can be described by a development on real spherical harmonics truncated at l = 4. In the second one (orbital approach) unpaired electrons are assumed to have a well-defined angular quantum number l. The case of a hybrid s-p orbital has also been implemented. Different models can be used for the radial dependence of monoatomic magnetization densities. This includes, in the orbital approach, the use of hydrogen-like functions or Stater-type functions. (C) 2003 Elsevier Science B.V. All rights reserved.