极化对熔融态AgI介电性能的影响
Polarization effects on the dielectric properties of molten AgI
摘要：
采用两种离子模型对熔融碘化银在923 K下的静态纵向介电和响应函数进行了分子动力学模拟。第一个是刚性离子模型，而在第二个中，阴离子的诱导偶极矩被添加到第一个的有效对电位。从理论上推导出可极化离子模型的介电函数由电荷和偶极矩密度的空间相关性决定。还研究了长波长下的电荷结构因子。
英文摘要：
The results are reported of molecular dynamics simulations of the static longitudinal dielectric and response functions for molten AgI at 923 K using two ionic models. The first one is a rigid ion model, while in the second the induced dipole moments of the anions are added to the effective pair potentials of the first. It is derived theoretically that the dielectric functions for the polarizable ion model are determined by spatial correlations of charge and dipole moment densities. The charge structure factor at long wavelengths is also studied.
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