Visualizing charge densities and electrostatic potentials in materials by synchrotron X-ray powder diffraction

Abstract

The utilization of synchrotron X-ray powder diffraction (SXPD) has allowed us to better understand materials properties on the basis of charge densities and electrostatic potentials as well as atomic configurations in crystals. This article describes capability of SXPD in visualizing materials properties by a revisit to charge density studies and electrostatic potential imaging in manganese oxides, spin crossover complexes, transition metal cyanides, etc. Results obtained in our studies clearly warrant further research on visualization of electrostatic properties taking into account nanostructure analysis by total scattering.