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Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms
14 Jan 2008 | Publications | Contributor(s): Gerhard Klimeck, Timothy Boykin
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 …
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Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D: Part I − Models and Benchmarks
14 Jan 2008 | Publications | 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 …
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Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D—Part II: Applications
14 Jan 2008 | Publications | 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 nanostructures …
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Development of a Nanoelectronic 3-D (NEMO 3-D ) Simulator for Multimillion Atom Simulations and Its Application to Alloyed Quantum Dots
14 Jan 2008 | Publications | Contributor(s): Gerhard Klimeck, Timothy Boykin
Material layers with a thickness of a few nanometers are common-place in today’s semiconductor
devices. Before long, device fabrication methods will reach a point at which the other two device
dimensions are scaled down to few tens of nanometers. The total atom count in such deca-nano
devices is …
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Empirical Tight-binding Parameterization of SmSe in the sp3d5f7s* model
26 Mar 2013 | Downloads | Contributor(s): Zhengping Jiang, Marcelo Kuroda, Yaohua Tan, Dennis M. Newns, Michael Povolotskyi, Timothy Boykin, Tillmann Christoph Kubis, Gerhard Klimeck, Glenn J. Martyna
The Empirical Tight Binding(ETB) method is widely used in atomistic device simulations. The reliability of such simulations depends very strongly on the choice of basis sets and the ETB parameters.
The Piezoelectronic Transistor (PET) has been proposed as a post-CMOS device for fast, low-power …
