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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.
24 Jul 2008 | | Contributor(s):: Gianluca Fiori, Giuseppe Iannaccone
3D Poisson/NEGF solver for the simulation of Graphene Nanoribbon, Carbon nanotubes and Silicon Nanowire Transistors.
Quantum and Thermal Effects in Nanoscale Devices
out of 5 stars
18 Sep 2008 | | Contributor(s):: Dragica Vasileska
To investigate lattice heating within a Monte Carlo device simulation framework, we simultaneously solve the Boltzmann transport equation for the electrons, the 2D Poisson equation to get the self-consistent fields and the hydrodynamic equations for acoustic and optical phonons. The phonon...
Nanoelectronics and the meaning of resistance: Course Handout and Exercises
02 Sep 2008 | | Contributor(s):: Supriyo Datta
Handout with reference list, MATLAB scripts and exercise problems.
Lecture 4A: 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 associated with current flow occurs entirely in the two contacts.Although there is experimental evidence that...
Introduction: Nanoelectronics and the meaning of resistance
20 Aug 2008 | | Contributor(s):: Supriyo Datta
This lecture provides a brief overview of the five-day short course whose purpose is to introduce a unified viewpoint for a wide variety of nanoscale electronic devices of great interest for all kinds of applications including switching, energy conversion and sensing. Our objective, however, is...
Lecture 2A: Quantum Transport
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 numbers like into (NxN) matrices like , with incoherent scattering introduced through . This model will be...
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 major effect on device operation except to increase the conductance by a factor of two.But it is now...
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 associated with current flow occurs entirely in the two contacts.Although there is experimental evidence that...
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 the example of Coulomb blockaded electronic devices that are difficult to model within the picture...
Lecture 5B: Correlations and Entanglement
Nanoelectronics and the Meaning of Resistance
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 assumed; however, familiarity with matrix algebra will be helpful for some topics. Day 1: What...
30 Jan 2008 | | Contributor(s):: Kirk 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 | | 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 structures the behavior of carriers and their interaction with their environment need to be fundamentally...
MCW07 Physics of Contact Induced Current Asymmetry in Transport Through Molecules
25 Feb 2008 | | Contributor(s):: Bhaskaran Muralidharan, owen 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) self-consistent field (SCF) and the weakly coupled (strongly interacting) Coulomb Blockade (CB) regimes. The CB...
Exploring Physical and Chemical control of molecular conductance: A computational study
31 Jan 2008 | | Contributor(s):: Barry D. Dunietz
Application of the Keldysh Formalism to Quantum Device Modeling and Analysis
14 Jan 2008 | | 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 formalism of Keldysh, Kadanoff, and Baym. The Markov assumption is not made, and the energy coordinate...
Electron-Phonon and Electron-Electron Interactions in Quantum Transport
14 Jan 2008 | | 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,...
Can numerical “experiments” INSPIRE physical experiments?
20 Dec 2007 | | 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 computational science and engineering.