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
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## 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
## 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