Element-selective visualization for materials science using synchrotron X-ray two-wavelength anomalous powder diffraction data

Abstract

Algorithms for determining the element-selective charge density are developed using two-wavelength anomalous synchrotron X-ray powder diffraction (MAPD) data. We have reported that an algorithm of element-selective charge density study from three wavelengths MAPD using near K absorption edge. The present study, we developed an algorithm from two wavelengths MAPD using near L_III absorption edge. The method is employed in order to investigate a large anharmonic thermal vibration of Gold atom in Gold metal complex, Au(tmdt)₂ (tmdt: trimethylene- tetrathiafulvalene-dithiolate).