Carrier transport simulation in a model liquid crystalline system with the biaxial Gay-Berne potential.
In this paper, we performed carrier transport simulation to understand the unusual temperature dependence of the carrier mobility observed in nematic liquid crystals. For this purpose, we made a model liquid crystalline system consisting of biaxial Gay-Berne particles, and then we simulated hopping transport between these particles. The hopping rate was formulated suitably for the biaxial Gay-Berne particles based on the investigation of the electronic overlaps between actual aromatic molecules. The carrier transport simulation was performed by master equation method on the model system prepared by N-P-T ensemble Monte Carlo simulation. We reproduced gradual mobility increase in the nematic phase as a result of the change in the short range molecular order.
Department of Org. and Polym. Mater, Tokyo Institute of Technology, S8-42, 2-12-1 Meguro, Tokyo 152-8552, Japan. gmasanao@nifty.com
Masanao
M
Goto
Hideo
H
Takezoe
Ken
K
Ishikawa