2000•Journal of Physics Condensed MatterRequires access

Influence of the environment potential on the structural and dynamical properties of ionic crystals

Claus Falter, Georg A. Hoffmann, Frank Schnetgöke

Abstract

The effect of two different approaches to the environment potential on structural, screening and lattice dynamical properties of ionic crystals is calculated using a microscopic model recently proposed. One approach is the conventional Madelung procedure for the potential depth and the other is based on the minimization of the total energy of the crystal. Results are presented for the typical ionic crystals NaCl and MgO.

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Key concepts: Ionic crystal, Ionic bonding, Lattice energy, Crystal (programming language), Crystal structure, Lattice (music), Materials science, Potential energy