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Ab initio shell models for the lattice dynamics of ionic crystals

✍ Scribed by M. Wagner; D. Kühner


Publisher
Springer
Year
1972
Tongue
English
Weight
666 KB
Volume
251
Category
Article
ISSN
0939-7922

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📜 SIMILAR VOLUMES


Preliminary results of a theoretical ab
✍ M. Bourg 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 299 KB

## Abstract The adsorption of metals on ionic surfaces takes place on preferential sites and is affected by the presence of defects. In order to provide some theoretical indication concerning electronic energy changes connected with these effects, we have extended previous work [A. Julg and M. Bour

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✍ B. Gliss; R. Zeyher; H. Bilz 📂 Article 📅 1971 🏛 John Wiley and Sons 🌐 English ⚖ 646 KB

## Abstract A microscopic theory of lattice dynamics of the ionic crystals is developed in the self‐consistent Hartree‐Fock approximation. The work is based on a splitting of the dynamical matrix into two parts, a rigid ion and a polarization part. For ionic crystals such a splitting is especially