The Nanoelectronic Modeling 3-D (NEMO 3-D) computer program has been upgraded to open-source status through elimination of license-restricted components. The present version functions equivalently to the version reported in “Software for Numerical Modeling of Nanoelectronic Devices” (NPO-30520), NASA Tech Briefs, Vol. 27, No. 11 (November 2003), page 37. To recapitulate: NEMO 3-D performs numerical modeling of the electronic transport and structural properties of a semiconductor device that has overall dimensions of the order of tens of nanometers. The underlying mathematical model represents the quantum-mechanical behavior of the device resolved to the atomistic level of granularity. NEMO 3-D solves the applicable quantum matrix equation on a Beowulf- class cluster computer by use of a parallel-processing matrix·vector multiplication algorithm coupled to a Lanczos and/or Rayleigh-Ritz algorithm that solves for eigenvalues. A prior upgrade of NEMO 3-D incorporated a capability for a strain treatment, parameterized for bulk material properties of GaAs and InAs, for two tight-binding submodels. NEMO 3-D has been demonstrated in atomistic analyses of effects of disorder in alloys and, in particular, in bulk InxGa1-xAs and in In0.6Ga0.4As quantum dots.
This program was written by Fabiano Oyafuso, Hook Hua, Edwin Tisdale, and Gerhard Klimeck of Caltech for NASA’s Jet Propulsion Laboratory.
This software is available for commercial licensing. Please contact Don Hart of the California Institute of Technology at (818) 393- 3425. Refer to NPO-30843.
This Brief includes a Technical Support Package (TSP).
(NANO) Open-Source Software for Modeling of Nanoelectronic Devices
(reference NPO30843) is currently available for download from the TSP library.
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Overview
The document discusses the upgrade of the Nanoelectronic Modeling 3-D (NEMO 3-D) software, developed by researchers at NASA's Jet Propulsion Laboratory (JPL) and Caltech, to an open-source status. This upgrade eliminates license-restricted components, making the software freely available for use and distribution under the GNU Lesser General Public License (LGPL). NEMO 3-D is designed for the numerical modeling of electronic transport and structural properties of semiconductor devices at the nanoscale, specifically those with dimensions on the order of tens of nanometers.
The software employs a quantum-mechanical framework that resolves the behavior of devices at an atomistic level. It utilizes a sparse complex Hamiltonian matrix, which can handle systems with up to 16 million atoms. The core computational methods include a custom parallel matrix-vector multiplication algorithm coupled with Lanczos and/or Rayleigh-Ritz eigenvalue solvers, enabling efficient calculations on Beowulf-class cluster computers.
NEMO 3-D has been enhanced to include a strain treatment parameterized for the bulk material properties of Gallium Arsenide (GaAs) and Indium Arsenide (InAs). This capability allows for detailed atomistic analyses of disorder effects in semiconductor alloys, particularly in bulk In_xGa_{1-x}As and In_{0.6}Ga_{0.4}As quantum dots. The simulations reveal that random atom configurations can lead to significant variations in optical transition energies, highlighting the impact of spatial disorder on electron and hole localization.
The document also emphasizes the importance of quantum mechanical simulations in understanding the electronic structure and transport properties of nanoscale devices, which are increasingly relevant as semiconductor fabrication techniques advance. The NEMO 3-D software serves as a critical tool for researchers in the field of nanoelectronics, providing insights into the behavior of materials and devices at the atomic level.
In summary, the upgrade of NEMO 3-D to open-source status represents a significant advancement in the field of nanoelectronic modeling, offering researchers a powerful tool for exploring the complexities of semiconductor devices and their properties at the nanoscale. The software's capabilities in handling large systems and incorporating strain effects make it a valuable resource for ongoing research and development in nanoelectronics.
