Short-Range-Order Full Multiple Scattering Approach to the Fluorine K-Edge XANES of MnF₂

Abstract

We performed numerical calculations for fluorine K-edge XANES of MnF₂ by use of our short-range-order full multiple scattering theory developed previously. From the comparison between the observed and calculated XANES, we estimated the net charge on the fluorine ion (−q) and d electron number (d); (q=0.3, d=4.8∼5.2. This result is consistent with those obtained by other theoretical and experimental methods.