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Electron-Phonon and Electron-Electron Interactions in Quantum Transport
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14 Jan 2008 | Papers | Contributor(s): Gerhard Klimeck
The objective of this work is to shed light on electron transport through sub-micron semi-conductor structures, where electronic state quantization, electron-electron interactions and electron-phonon interactions are important. We concentrate here on the most developed vertical quantum device,...
NEMO3D User Guide for Quantum Dot Simulations
29 Nov 2011 | Papers | Contributor(s): M. Usman, Gerhard Klimeck
NEMO 3D is a large and complex simulator; and understanding of its source code requires considerable knowledge of quantum mechanics, condensed matter theory, and parallel programming.
Development of a Nanoelectronic 3-D (NEMO 3-D ) Simulator for Multimillion Atom Simulations and Its Application to Alloyed Quantum Dots
14 Jan 2008 | Papers | Contributor(s): Gerhard Klimeck, Timothy Boykin
Material layers with a thickness of a few nanometers are common-place in today’s semiconductordevices. Before long, device fabrication methods will reach a point at which the other two devicedimensions are scaled down to few tens of nanometers. The total atom count in such deca-nanodevices is...
Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D: Part II - Applications
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14 Jan 2008 | Papers | Contributor(s): Gerhard Klimeck, Shaikh S. Ahmed, Neerav Kharche, Marek Korkusinski, Muhammad Usman, marta prada, Timothy Boykin
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...
Crystal Viewer V3.0 First Time User Guide
19 Jan 2015 | Papers | Contributor(s): Yuanchen Chu, James Fonseca, Michael Povolotskyi, Gerhard Klimeck
This first-time user guide is an introduction to the Crystal Viewer Tool V3.0.
Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D: Part I - Models and Benchmarks
14 Jan 2008 | Papers | Contributor(s): Gerhard Klimeck, Shaikh S. Ahmed, Neerav Kharche, Hansang Bae, Steven Clark, Benjamin P Haley, Maxim Naumov, Hoon Ryu, Faisal Saied, marta prada, Marek Korkusinski, Timothy Boykin
Device physics and material science meet at the atomic scale of novel nanostructured semiconductors, and the distinction between new device or new material is blurred. Not only the quantum-mechanical effects in the electronic states of the device but also the granular atomistic representation of...
Valley splitting in strained silicon quantum wells modeled with 2 degree miscuts, step disorder, and alloy disorder
14 Jan 2008 | Papers | Contributor(s): Neerav Kharche, marta prada, Timothy Boykin, Gerhard Klimeck
Valley splitting (VS) in strained SiGe/Si/SiGe quantum wells grown on (001) and 2° miscut substrates is computed in a magnetic field. Calculations of flat structures significantly overestimate, while calculations of perfectly ordered structures underestimate experimentally observed VS. Step...
High Precision Quantum Control of Single Donor Spins in Silicon
14 Jan 2008 | Papers | Contributor(s): Rajib Rahman, marta prada, Gerhard Klimeck, Lloyd Hollenberg
The Stark shift of the hyperfine coupling constant is investigated for a P donor in Si far below the ionization regime in the presence of interfaces using tight-binding and band minima basis approaches and compared to the recent precision measurements. In contrast with previous effective...
Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms
The broadening of the conduction and valence band edges due to compositional disorder in alloyed materials of finite extent is studied using an s p3 s ∗ tight binding model. Two sources of broadening due to configuration and concentration disorder are identified. The concentrational disorder...