We present a computational methodology to evaluate the conductivity tensors of "large-scale" systems in a magnetic field based on the time-dependent wave-packet diffusion method. As demonstrations, we first apply the method to the two-dimensional square lattice model with static disorder and confirm appropriate magnetic-field dependence of conductivities from weak to strong magnetic-field regimes. Furthermore, we extend the method to apply to realistic systems and evaluate the influence of dynamical disorder on the Hall effects of organic semiconductors, taking microscopic molecular vibrations into account.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2014 Oct 31|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics