In Part 1, 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 sp(3)d(5)s*. 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.


Atomistic simulation, Keating model, nanostructures, nanowire, NEMO 3-D, piezoelectricity, quantum computation, quantum dot (QD), quantum well (QW), strain, tight binding, valley splitting (VS)

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