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.

The acknowledgement section was missed. The authors need to check the acknowledgement list before resubmitting to arXiv. By now the acknowledgement section includes: We thank the insightful discussions with Dr. Qiyang Lu, Dr. Wei Zhu, Dr. Congjun Wu, Dr. Shi Liu, Dr. Yizhou Zhu and Dr. Wenbin Li of Westlake University