A Novel Quasiparticle Method for Solid State Ion Transport

Abstract

The quasiparticle method, which has achieved a great success in solid state electronics and crystal lattice vibration, is adopted to study the solid state ion transport. A general recipe is put forward to map the classical solid state ion system together with the short-range ion-ion repulsion to a quasiparticle quantum system based on which simple tight-binding models are set up to study popular solid state ionic issues. The derived ionic eigen-states and transport can naturally incorporate the concerted behavior. The influence of mobile ion doping to ionic conductivity is investigated by an explicit mean-field expression of ion-ion Coulomb interaction to reveal the mechanism of super-ionic conduction. Similar trick is also applied to study the the Onsager transport originated from ion-electron interference. The so called high-entropy mechanism is also explored where the lattice random distorsion and multi-site percolation exhibit positive influence to increase ionic conductivity. Our method is expected to provide a novel framework to understand and study the solid state ion transport.