Low-rank Approximations in Quantum Transport Simulations

2020-05-07T21:15:23Z (GMT) by Daniel A. Lemus
Quantum-mechanical effects play a major role in the performance of modern electronic devices. In order to predict the behavior of novel devices, quantum effects are often included using Non-Equilibrium Green's Function (NEGF) methods in atomistic device representations. These quantum effects may include realistic inelastic scattering caused by device impurities and phonons. With the inclusion of realistic physical phenomena, the computational load of predictive simulations increases greatly, and a manageable basis through low-rank approximations is desired.

In this work, low-rank approximations are used to reduce the computational load of atomistic simulations. The benefits of basis reductions on simulation time and peak memory are assessed.
The low-rank approximation method is then extended to include more realistic physical effects than those modeled today, including exact calculations of scattering phenomena. The inclusion of these exact calculations are then contrasted to current methods and approximations.