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The non-equilibrium Greens function (NEGF) formalism provides a powerful conceptual and computational framework for treating quantum transport in nanodevices. It goes beyond the Landauer approach for ballistic, non-interacting electronics to include inelastic scattering and strong correlation effects at an atomistic level.
Check out Supriyo Datta's NEGF page for more information, or browse through the various resources listed below.
Lecture 2A: Quantum Transport
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20 Aug 2008 | Online Presentations | Contributor(s): Supriyo Datta
Objective: To extend the simple model from Lectures 1 into the full-fledged Non-equilibrium Green’s Function (NEGF) – Landauer model by introducing a spatial grid of N points and turning...
Lecture 2B: Quantum Transport
Lecture 3A: Spin Transport
Objective: To extend the model from Lectures 1 and 2 to include electron spin. Every electron is an elementary “magnet” with two states having opposite magnetic moments. Usually this has no...
Lecture 3B: Spin Transport
Lecture 4B: Energy Exchange and Maxwell’s Demon
Objective: To incorporate distributed energy exchange processes into the previous models from lectures 1 through 3 which are based on a “Landauer-like picture” where the Joule heating...
Lecture 5A: Correlations and Entanglement
Objective: To relate the one-electron picture used throughout these lectures to the more general but less tractable many-particle picture that underlies it. We introduce this new viewpoint using...
Lecture 5B: Correlations and Entanglement
Nanoelectronics and the Meaning of Resistance
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20 Aug 2008 | Courses | Contributor(s): Supriyo Datta
The purpose of this series of lectures is to introduce the "bottom-up" approach to nanoelectronics using concrete examples. No prior knowledge of quantum mechanics or statistical mechanics is...
05 May 2008 | Tools | Contributor(s): Kirk H. Bevan
Non-equilibrium Green's Function Density Functional Theory Simulator
Nanoelectronic Modeling: Multimillion Atom Simulations, Transport, and HPC Scaling to 23,000 Processors
07 Mar 2008 | Online Presentations | Contributor(s): Gerhard Klimeck
Future field effect transistors will be on the same length scales as “esoteric” devices such as quantum dots,
nanowires, ultra-scaled quantum wells, and resonant tunneling diodes. In those...
MCW07 Physics of Contact Induced Current Asymmetry in Transport Through Molecules
25 Feb 2008 | Online Presentations | Contributor(s): Bhaskaran Muralidharan, Owen D. Miller, Neeti Kapur, Avik Ghosh, Supriyo Datta
We first outline the qualitatively different physics involved in the charging-induced current asymmetries in molecular conductors operating in the strongly coupled (weakly interacting)...
Exploring Physical and Chemical control of molecular conductance: A computational study
01 Feb 2008 | Online Presentations | Contributor(s): Barry D. Dunietz
Application of the Keldysh Formalism to Quantum Device Modeling and Analysis
14 Jan 2008 | Papers | Contributor(s): Roger Lake
The effect of inelastic scattering on quantum electron transport through layered semi-conductor structures is studied numerically using the approach based on the non-equilibrium Green's function...
Electron-Phonon and Electron-Electron Interactions in Quantum Transport
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...
Can numerical “experiments” INSPIRE physical experiments?
20 Dec 2007 | Online Presentations | Contributor(s): Supriyo Datta
This presentation was one of 13 presentations in the one-day forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of...
Engineering at the nanometer scale: Is it a new material or a new device?
06 Nov 2007 | Online Presentations | Contributor(s): Gerhard Klimeck
This seminar will overview NEMO 3D simulation capabilities and its deployment on the nanoHUB as well as an overview of the nanoHUB impact on the community.
MCW07 Modeling Molecule-Assisted Transport in Nanotransistors
06 Nov 2007 | Online Presentations | Contributor(s): Kamil Walczak
Molecular electronics faces many problems in practical device implementation, due to difficulties with fabrication and gate-ability. In these devices, molecules act as the main conducting channel....
MCW07 Simple Models for Molecular Transport Junctions
13 Sep 2007 | Online Presentations | Contributor(s): Misha Galperin, Abraham Nitzan, Mark A. Ratner
We review our recent research on role of interactions in molecular transport junctions. We consider simple models within nonequilibrium Green function approach (NEGF) in steady-state regime.
MCW07 Modeling Charging-based Switching in Molecular Transport Junctions
05 Sep 2007 | Online Presentations | Contributor(s): Sina Yeganeh, Misha Galperin, Mark A. Ratner
We will discuss several proposed explanations for the switching and negative differential resistance behavior seen in some molecular junctions. It is shown that a proposed polaron model is...
Introduction to FETToy
03 Jul 2007 | Series | Contributor(s): James K Fodor, Jing Guo
This learning module introduces nanoHUB users to the FETToy simulator. A brief introduction to FETToy is presented, followed by voiced presentations featuring the simulator in action. Upon...