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Polarization effects in the AgBr interaction potential

  • Ching Hwa Kiang
  • , William A. Goddard
  • Division of Chemistry and Chemical Engineering
  • Massachusetts Institute of Technology

Résultats de recherche: Contribution à un journalArticleRevue par des pairs

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 originaleAnglais
Pages (de - à)14334-14339
Nombre de pages6
journalJournal of Physical Chemistry
Volume99
Numéro de publication39
Les DOIs
étatPublié - 1 janv. 1995
Modification externeOui

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