Anion-cation dynamic cooperation in a paradigmatic ionic conductor around its superionic transition

Abstract

Silver iodide (AgI) is one of the most extensively studied superionic conductors. In this work, we have applied the standard Buckingham pair potential and standard charge. For the first time the microscopic dynamic events that allow the achievement of the superionic transition are revealed. A collaborative effect among cations and anions that makes possible the hopping mechanism within the appropriate timescale is revealed.