Journal of Physical Chemistry, Vol.99, No.39, 14334-14339, 1995
Polarization Effects in the AgBr Interaction Potential
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 Gamma 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.
Keywords:LATTICE-DYNAMICS;SILVER-HALIDES;FORCE-FIELD;CRYSTALS;AGCL;IONS;POLARIZABILITIES;MOTION;MODEL;SUMS