Electron Transport from Quantum Kinetic Monte Carlo Simulations

2018-08-14T00:00:00Z (GMT) by Fei Lin Jianqiu Huang Celine Hin
The exact quantum kinetic Monte Carlo method is proposed to calculate electron transport for one-dimensional (1D) nanostructure described by the Hubbard model. The method is directly formulated in real time and can be applied to extract time-dependent dynamics of general interacting electronic models in 1D. When coupled with density functional theory calculation and maximally localized Wannier functions analysis, our method can be used to predict electron transport in nanostructures with interfaces. We first applied our method to case study of α-quartz dielectric breakdown.