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MCW07 A Quantum Open Systems Approach to Molecular-Scale Devices
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25 Feb 2008 | | Contributor(s):: Yongqiang Xue
Experimental advances in electrically and optically probing individual molecules have provided new insights into the behavior of single quantum objects and their interaction with the nanoenvironments without requiring ensemble average. Molecular-scale devices are open quantum systems whose...
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
Path Integral Monte Carlo
13 Dec 2007 | | Contributor(s):: John Shumway, Matthew Gilbert
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...
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.
NanoElectronic MOdeling: NEMO
20 Dec 2007 | | Contributor(s):: Gerhard Klimeck
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.Novel nanoelectronic devices such as quantum dots, nanowires, and ultra-scaled...
Carrier Transport at the Nanoscale
27 Nov 2007 | | Contributor(s):: Mark Lundstrom
Fall 2007Note: A more current teaching of this course with online lectures is available as ECE 656: Electronic Transport in Semiconductors (Fall 2011).This is a course about how charge flows in semiconductors with an emphasis on transport at the nanoscale. After a brief review basic concepts,...
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.
MCW07 Modeling Molecule-Assisted Transport in Nanotransistors
06 Nov 2007 | | 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. One could imagine alternate device structures where molecules act as quantum dots rather than...
MCW07 Simple Models for Molecular Transport Junctions
13 Sep 2007 | | Contributor(s):: , Abraham Nitzan, Mark 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 Electronic Level Alignment at Metal-Molecule Contacts with a GW Approach
05 Sep 2007 | | Contributor(s):: Jeffrey B. Neaton
Most recent theoretical studies of electron transport in single-molecule junctions rely on a Landauer approach, simplified to treat electron-electron interactions at a mean-field level within density functional theory (DFT). While this framework has proven relatively accurate for certain...
MCW07 Modeling Charging-based Switching in Molecular Transport Junctions
23 Aug 2007 | | Contributor(s):: Sina Yeganeh, , Mark 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 successful in predicting both hysteresis and NDR behavior, and the model is elaborated with image charge...
Electronics From the Bottom Up: a view of conductance
17 Aug 2007 | | Contributor(s):: Supriyo Datta
Resistance is one of the first concepts an electrical engineer learns, but things get interesting at the nanoscale. Experimentalists have found that no matter how short the resistor is, its resistance cannot drop below a fundamental lower limit. They also found that resistance increases in...
HCIS-15 Lecture: Nanodevices and Maxwell’s Demon
23 Jul 2007 | | Contributor(s):: Supriyo Datta
The 15th International Conference onNonequilibrium Carrier Dynamics in Semiconductors (HCIS-15) lecture.This 30 minute lecture coversroughly the same material as Lecture 1 of Concepts of Quantum Transport.
A Tutorial for Nanoelectronics Simulation Tools
03 Jul 2007 | | Contributor(s):: James K Fodor, Jing Guo
This learning module introduces nanoHUB users to some of the available simulators. The simulators discussed are FETToy, nanoMOS, Schred, CNTbands, and QDot Lab. For each simulator, a brief introduction to the simulator is presented, followed by voiced presentations featuring the simulator in...
Introduction to nanoMOS
02 Jul 2007 | | Contributor(s):: James K Fodor, Jing Guo
This learning module introduces nanoHUB users to the nanoMOS simulator. A brief introduction to nanoMOS is presented, followed by voiced presentations featuring the simulator in action. Upon completion of this module, users should be able to use this simulator to gain valuable insight into the...
Pan American Advanced Study Institute Lectures: Nanodevices and Maxwell’s Demon
14 Jun 2007 | | Contributor(s):: Supriyo Datta
Pan AmericanAdvanced Study Institute (PASI) Lectures: Nanodevices and Maxwell's DemonThis is a video taped set of two one-hour live lectures covering roughly the same material as Lectures 1-3 of Concepts of Quantum Transport.
PASI Lecture: Nanodevices and Maxwell's Demon, Part 2
Pan AmericanAdvanced Study Institute (PASI) Lectures.This is part 2 of a video taped set of two one-hour live lectures covering roughly the same material as Lectures 1-3 of Concepts of Quantum Transport.