
Quantum and Thermal Effects in Nanoscale Devices
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 selfconsistent 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
02 Sep 2008   Contributor(s):: Supriyo Datta
Objective: To incorporate distributed energy exchange processes into the previous models from lectures 1 through 3 which are based on a "Landauerlike 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 fiveday 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
20 Aug 2008   Contributor(s):: Supriyo Datta
Objective: To extend the simple model from Lectures 1 into the fullfledged Nonequilibrium 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
20 Aug 2008   Contributor(s):: Supriyo Datta
Objective: To extend the simple model from Lectures 1 into the fullfledged Nonequilibrium 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 3A: Spin Transport
20 Aug 2008   Contributor(s):: Supriyo Datta
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
20 Aug 2008   Contributor(s):: Supriyo Datta
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 4B: Energy Exchange and Maxwell’s Demon
20 Aug 2008   Contributor(s):: Supriyo Datta
Objective: To incorporate distributed energy exchange processes into the previous models from lectures 1 through 3 which are based on a “Landauerlike 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
20 Aug 2008   Contributor(s):: Supriyo Datta
Objective: To relate the oneelectron picture used throughout these lectures to the more general but less tractable manyparticle 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
20 Aug 2008   Contributor(s):: Supriyo Datta
Objective: To relate the oneelectron picture used throughout these lectures to the more general but less tractable manyparticle 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...

Nanoelectronics and the Meaning of Resistance
20 Aug 2008   Contributor(s):: Supriyo Datta
The purpose of this series of lectures is to introduce the "bottomup" 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 and where...

Matdcal
30 Jan 2008   Contributor(s):: Kirk Bevan
Nonequilibrium 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, ultrascaled 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 charginginduced current asymmetries in molecular conductors operating in the strongly coupled (weakly interacting) selfconsistent 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 semiconductor structures is studied numerically using the approach based on the nonequilibrium Green's function formalism of Keldysh, Kadanoff, and Baym. The Markov assumption is not made, and the energy...

ElectronPhonon and ElectronElectron Interactions in Quantum Transport
14 Jan 2008   Contributor(s):: Gerhard Klimeck
The objective of this work is to shed light on electron transport through submicron semiconductor structures, where electronic state quantization, electronelectron interactions and electronphonon 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 oneday forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational science and engineering.

Engineering at the nanometer scale: Is it a new material or a new device?
06 Nov 2007   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.