Résumé
A pairwise additive interaction potential (including a shell model to account for ion polarizabilities) was developed for describing crystalline AgBr. It was constructed by fitting experimental data, including lattice constant, phonon frequencies at the Γ and X points, dielectric constant, cohesive energy, and elastic constants. The predicted results compare favorably with experimentally measured values. The influence of polarization effects on the various crystal properties is discussed.
| langue originale | Anglais |
|---|---|
| Pages (de - à) | 14334-14339 |
| Nombre de pages | 6 |
| journal | Journal of Physical Chemistry |
| Volume | 99 |
| Numéro de publication | 39 |
| Les DOIs | |
| état | Publié - 1 janv. 1995 |
| Modification externe | Oui |
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Examiner les sujets de recherche de « Polarization effects in the AgBr interaction potential ». Ensemble, ils forment une empreinte digitale unique.Contient cette citation
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