TY - JOUR
T1 - Large-scale conductivity-tensor calculations for Hall effects in time-dependent wave-packet diffusion method
AU - Ishii, Hiroyuki
AU - Tamura, Hiroyuki
AU - Tsukada, Masaru
AU - Kobayashi, Nobuhiko
AU - Hirose, Kenji
N1 - Publisher Copyright:
© 2014 American Physical Society.
PY - 2014/10/31
Y1 - 2014/10/31
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.90.155458
DO - 10.1103/PhysRevB.90.155458
M3 - Article
AN - SCOPUS:84912002801
VL - 90
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
SN - 0163-1829
IS - 15
M1 - 155458
ER -