Electrostatic potential determined from electron diffraction data

Abstract

Modern level of the precise electron diffraction structure analysis (EDSA) provides possibility of the quantitative analysis of electrostatic potential and electron density of crystals and, therefore, brings us closer towards the ultimate goal of direct study of properties of solids. It is shown on an example of NaCl type structures with ionic bonding and Ge, which has covalent bonds. Analytical structural models of crystals built on the basis of EDSA data, enabled for the first time quantitative characterization of chemical bonding and study of topological features of electrostatic potential. It was established that the inner crystal field is well structured, and its topological analysis revealed important features of a structure which essentially enrich our understanding of the interatomic interactions in crystals. © 2012 Springer Science+Business Media Dordrecht.