Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D—Part II: Applications

By Gerhard Klimeck1, Shaikh S. Ahmed2, Neerav Kharche1, Marek Korkusinski1, Muhammad Usman3, marta prada1, Timothy Boykin4

1. Purdue University 2. Southern Illinois University Carbondale 3. University of Melbourne 4. University of Alabama in Huntsville



Published on


In part I, the development and deployment of a general nanoelectronic modeling tool (NEMO 3-D) has been discussed. Based on the atomistic valence-force field and the sp3d5s* nearest neighbor tight-binding models, NEMO 3-D enables the computation of strain and electronic structure in nanostructures consisting of more than 64 and 52 million atoms, corresponding to volumes of (110 nm)3 and (101 nm)3, respectively. In this part, successful applications of NEMO 3-D are demonstrated in the atomistic calculation of single-particle electronic states of the following realistically sized nanostructures: 1) self-assembled quantum dots (QDs) including long-range strain and piezoelectricity; 2) stacked quantum dot system as used in quantum cascade lasers; 3) SiGe quantum wells (QWs) for quantum computation; and 4) SiGe nanowires. These examples demonstrate the broad NEMO 3-D capabilities and indicate the necessity of multimillion atomistic electronic structure modeling.


This document is a preprint of the work published in: Gerhard Klimeck, Shaikh Ahmed, Neerav Kharche, Marek Korkusinski, Muhammad Usman, Marta Prada, and Timothy B. Boykin
"Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D: Part II - Applications",
(INVITED) Special Issue on Nanoelectronic Device Modeling in IEEE Transactions on Electron Devices, Vol. 54, Issue 9, Sept. 2007 Page(s):2090 - 2099 (2007). The published document is hosted at IEEE

Cite this work

Researchers should cite this work as follows:

  • Gerhard Klimeck; Shaikh S. Ahmed; Neerav Kharche; Marek Korkusinski; Muhammad Usman; marta prada; Timothy Boykin (2008), "Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D—Part II: Applications,"

    BibTex | EndNote