Semiconductor devices are scaled down to the level which constituent
materials are no longer considered continuous. To account for atomistic
randomness, surface effects and quantum mechanical effects, an atomistic
modeling approach needs to be pursued. The Nanoelectronic Modeling Tool (NEMO
3-D) has satisfied the requirement by including emprical sp3s∗ and
sp3d5s∗ tight binding models and considering strain to successfully
simulate various semiconductor material systems. Computationally, however, NEMO
3-D needs significant improvements to utilize increasing supply of processors.
This paper introduces the new modeling tool, OMEN 3-D, and discusses the major
computational improvements, the 3-D domain decomposition and the multi-level
parallelism. As a featured application, a full 3-D parallelized
Schr\"odinger-Poisson solver and its application to calculate the bandstructure
of δ doped phosphorus(P) layer in silicon is demonstrated. Impurity
bands due to the donor ion potentials are computed.Comment: 4 pages, 6 figures, IEEE proceedings of the 13th International
Workshop on Computational Electronics, Tsinghua University, Beijing, May
27-29 200