Using Ensemble Monte Carlo Methods to Evaluate Non-Equilibrium Green's Functions, II. Polar-Optical Phonons

Abstract: In semi-classical transport, it has become common practice over the past few decades to use ensemble Monte Carlo (EMC) methods for the simulation of transport in semiconductor devices. This method utilizes particles while still addressing the full physics within the device, leaving the computational difficulties to the computer. More recently, the study of quantum mechanical effects within the devices, have become important, and have been addressed in semiconductor devices using non-equilibrium Green's functions (NEGF). In using NEGF, one faces considerable computational difficulties. Recently, a particle approach to NEGF has been proposed [ 1], and preliminary results presented for non-polar optical phonons, which are very localized scattering centers. Here, the problems with long-range polar-optical phonons are discussed and results of the particle-based simulation presented.