NEMO5: A Parallel Multiscale Nanoelectronics Modeling Tool

The development of a new nanoelectronics modeling tool, NEMO5, is reported. The tool computes strain, phonon spectra, electronic band structure, charge density, charge current, and other properties of nanoelectronic devices. The modular layout enables a mix and match of physical models with different length scales and varying numerical complexity. NEMO5 features multilevel parallelization and is based on open-source packages. Its versatility is demonstrated with selected application examples: a multimillion-atom strain calculation, bulk electron and phonon band structures, a 1-D Schrödinger-Poisson simulation, a multiphysics simulation of a resonant tunneling diode, and quantum transport through a nanowire transistor.