화학공학소재연구정보센터
Journal of the American Chemical Society, Vol.124, No.49, 14721-14723, 2002
A classification of covalent, ionic, and metallic solids based on the electron density
The electron density of crystals contains all of the information required to complete a classification of their bonding types. We propose here a set of three different indexes, flatness, charge transfer, and molecularity, easily obtained from the experimental or theoretical electron density, which give rise to a classification in close resemblance to the classical van Arkel-Ketelaar diagrams.