Topological analysis of electrostatic potential in SrTiO3

The topological analysis of the electrostatic potential distribution of SrT iO3 calculated from the experimental and theoretical electron densities was performed. It was found that the electrostatic potential and the electron density fields in SrTiO3 had different sets of the critical points. The top ological features of the electrostatic potential lead to the explicit pictu re of Coulomb force field, showing that the Coulomb interactions are transm itted through a crystal in the form of the 'atom-atom interactions', a netw ork of which is a specific property of each compound. (C) 2001 Elsevier Sci ence Ltd. All rights reserved.