Lattice potentials as an instrument in crystal chemistry. I. Theory and calculation 1-Reference-Cited by-同舟云学术

Lattice potentials as an instrument in crystal chemistry. I. Theory and calculation 1

Published:1997-08-01 Issue:8 Volume:212 Page:559-564
ISSN:2194-4946
Container-title:Zeitschrift für Kristallographie - Crystalline Materials
language:en
Short-container-title:

Author:

Beyer T.,Beck H. P.

Abstract

Abstract 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.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Link

https://www.degruyter.com/document/doi/10.1524/zkri.1997.212.8.559/pdf

Reference3 articles.

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