Zeitschrift für Kristallographie
International journal for structural, physical, and chemical aspects of crystalline materials
ISSN 0044-2968	www.zkristallogr.de
Zeitschrift für Kristallographie, 1997, Volume 212, Issue 08, p. 559 General Aspects
Horst P. Beck, T. Beyer
Lattice potentials as an instrument in crystal chemistry. I. Theory and calculation
Methods for the calculation of bulk and surface crystal potentials are described. All investigations are based on a simple ionic structure model, in which all interatomic interactions are described by Coulomb's law. Bulk potentials can be used to evaluate Madelung energies (MAPLE), Madelung factors (MF, MF*, PMF, PMF*) and potential surfaces (POPS, PEPS). Surface potentials are an instrument to predict crystal morphologies by means of the Madelung Part of Surface Energy (MAPSE) and to learn about surface adsorption and catalysis.
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