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On the microscopic theory of electronic contributions to lattice dynamics of anharmonic crystals

✍ Scribed by Günther Meissner

Publisher
Springer
Year
1970
Tongue
English
Weight
481 KB
Volume
235
Category
Article
ISSN
0939-7922

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📜 SIMILAR VOLUMES

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✍ S.H. Walmsley 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 493 KB

The use of the rigid-molecule approximation in the theory of lattice dynamics of molecular crystals leads to hiiherorder kinetic energy terms when anharmonic effects are allowed for. The conventional theory of lattice dynamics is extended to take account of these terms.

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## 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