EMC/FDTD/MD simulation of carrier transport and electrodynamics in two-dimensional electron systems
N. Sule, K. J. Willis, S. C. Hagness, and I. Knezevic

TL;DR
This paper introduces a multiphysics simulation method combining EMC, FDTD, and MD to study carrier transport and electrodynamics in 2D electron systems, exemplified by graphene on SiO2.
Contribution
It presents a novel integrated simulation approach for modeling carrier dynamics and electromagnetic interactions in two-dimensional materials.
Findings
Calculated room-temperature dc and ac conductivity of graphene on SiO2.
Demonstrated the effectiveness of the combined EMC/FDTD/MD technique.
Provided insights into carrier behavior under electromagnetic excitation.
Abstract
We present the implementation and application of a multiphysics simulation technique to carrier dynamics under electromagnetic excitation in supported two-dimensional electronic systems. The technique combines ensemble Monte Carlo (EMC) for carrier transport with finite-difference time-domain (FDTD) for electrodynamics and molecular dynamics (MD) for short-range Coulomb interactions among particles. We demonstrate the use of this EMC/FDTD/MD technique by calculating the room-temperature dc and ac conductivity of graphene supported on SiO2.
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