Silver-ion disorder in α-AgI: A computer simulation study

Abstract
Computer simulation studies of the superionic conducting α phase of AgI are described, which focus on the degree of disorder of the silver ions and the interpretation of experiments that reflect this property. Calculations of the diffuse x-ray scattering and of the Raman spectrum are compared with experimental data. The predictions of two theoretical schemes, which have sought to describe possible ordering phenomena of the silver ions, are critically examined.