The nanoelectronic modeling tool NEMO 5: Capabilities, validation, and application to Sb-heterostructures

Modeling and simulation take an important role in the exploration and design optimization of novel devices. As the downscaling of electronic devices continues, the description of interfaces, randomness, and disorder on an atomistic level gains importance and continuum descriptions lose their validity. Often a full-band description of the electronic structure is needed to model the interaction of different valleys and nonparabolicity effects. NEMO 5 [1] is a modeling tool that addresses these issues and is able to provide insight into a broad range of devices. It unifies the capabilities of prior projects: multiscale approaches to quantum transport in planar structures in NEMO-1D [2], multimillion-atom simulations of strain and electronic structure in NEMO-3D [3] and NEMO-3D-Peta [4], and quantum transport in nonplanar structures in OMEN [5]. NEMO 5 aims at becoming a community code whose structure, implementation, resource requirements and license allow experimental and theoretical researchers in academia and industry alike to use and extend the tool.