
Learning Module: Band Structure for Pure and Doped Silicon
10 Dec 2018   Contributor(s):: Peilin Liao
In this lab, students will learn to perform online density functional theory (DFT) simulations to compute band structures and density of states (DOS) for pure and doped Si using the DFT Material Properties Simulator available on nanoHUB. The students will work with crystalline pure and doped...

Learning Module: Bonding and Band Structure in Silicon
The main goal of this learning module is to help students learn about the correlation between atomic structure and electronic properties, and help them develop a more intuitive understanding of the...
http://nanohub.org/wiki/LearningModuleSiliconBandstructureDFT

Lecture 3: Low Bias Transport in Graphene: An Introduction
18 Sep 2009   Contributor(s):: Mark Lundstrom
Outline:Introduction and ObjectivesTheoryExperimental approachResultsDiscussionSummaryLecture notes are available for this lecture.

Low Bias Transport in Graphene: An Introduction (lecture notes)
22 Sep 2009   Contributor(s):: Mark Lundstrom, tony low, Dionisis Berdebes
These notes complement a lecture with the same title presented by Mark Lundstrom and Dionisis Berdebes, at the NCN@Purdue Summer School, July 2024, 2009.

MATLAB Scripts for "Quantum Transport: Atom to Transistor"
15 Mar 2005   Contributor(s):: Supriyo Datta
Tinker with quantum transport models! Download the MATLAB scripts used to demonstrate the physics described in Supriyo Datta's book Quantum Transport: Atom to Transistor. These simple models are less than a page of code, and yet they reproduce much of the fundamental physics observed in...

MCW07 Electronic Level Alignment at MetalMolecule Contacts with a GW Approach
05 Sep 2007   Contributor(s):: Jeffrey B. Neaton
Most recent theoretical studies of electron transport in singlemolecule junctions rely on a Landauer approach, simplified to treat electronelectron interactions at a meanfield level within density functional theory (DFT). While this framework has proven relatively accurate for certain systems,...

MCW07 Impact of Porphyrin Functional Groups on InAs Gas Sensors
05 Nov 2007   Contributor(s):: Michael Garcia
Porphyrin molecules are often used for sensor engineering to improve sensitivity and selectivity to specific analytes. It is important to understand how the porphyrin HOMOLUMO levels deplete surface states during functionalization of solid state sensors. Additionally, the effect of...

ME 597 Lecture 1: Introduction to Basic Quantum Mechanics
01 Sep 2009   Contributor(s):: Ron Reifenberger
Note: This lecture has been revised since its original presentation.Topics:Introduction to Basic Quantum MechanicsEnergy States in Periodic Crystals

Metal Oxide Nanowires as Gas Sensing Elements: from Basic Research to Real World Applications
21 Sep 2009   Contributor(s):: andrei kolmakov
Quasi 1D metal oxide single crystal chemiresistors are close to occupy their specific niche in the real world of solid state sensorics. Potentially, the major advantage of this kind of sensors with respect to available granular thin film sensors will be their size and stable, reproducible and...

MIT AtomicScale Modeling Toolkit
15 Jan 2008   Contributor(s):: daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley
Tools for AtomicScale Modeling

MSL Simulator
17 Jun 2005   Contributor(s):: Kyeongjae Cho
Easytouse interface for designing and analyzing electronic properties of different nano materials

Nanoelectronic Modeling Lecture 07: Introduction to Bandstructure Engineering I
30 Dec 2009   Contributor(s):: Gerhard Klimeck
This presentation serves as a reminder about basic quantum mechanical principles without any real math. The presentation reviews critical properties of classical systems that can be described as particles, propagating waves, standing waves, and chromatography.

Nanoelectronic Modeling Lecture 08: Introduction to Bandstructure Engineering II
30 Dec 2009   Contributor(s):: Gerhard Klimeck
This presentation provides a brief overview of the concepts of bandstructure engineering and its potential applications to light detectors, light emitters, and electron transport devices. Critical questions of the origin of bandstructure and its dependence on local atom arrangements are raised to...

Nanoelectronic Modeling Lecture 12: Open 1D Systems  Transmission through Double Barrier Structures  Resonant Tunneling
25 Jan 2010   Contributor(s):: Gerhard Klimeck, Dragica Vasileska
This presentation shows that double barrier structures can show unity transmission for energies BELOW the barrier height, resulting in resonant tunneling. The resonance can be associated with a quasi bound state, and the bound state can be related to a simple particle in a box calculation.

Nanoelectronic Modeling Lecture 14: Open 1D Systems  Formation of Bandstructure
25 Jan 2010   Contributor(s):: Gerhard Klimeck, Dragica Vasileska
The infinite periodic structure Kroenig Penney model is often used to introduce students to the concept of bandstructure formation. It is analytically solvable for linear potentials and shows critical elements of bandstructure formation such as core bands and different effective masses in...

Nanoelectronic Modeling Lecture 25a: NEMO1D  Full Bandstructure Effects
02 Mar 2010   Contributor(s):: Gerhard Klimeck
(quantitative RTD modeling at room temperature)

Nanoelectronic Modeling Lecture 25b: NEMO1D  Hole Bandstructure in Quantum Wells and Hole Transport in RTDs
02 Mar 2010   Contributor(s):: Gerhard Klimeck
Heterostructures such as resonant tunneling diodes, quantum well photodetectors and lasers, and cascade lasers break the symmetry of the crystalline lattice. Such break in lattice symmetry causes a strong interaction of heavy, light and splitoff hole bands. The bandstructure of holes and the...

Nanoelectronic Modeling Lecture 26: NEMO1D 
02 Mar 2010   Contributor(s):: Gerhard Klimeck
NEMO1D demonstrated the first industrial strength implementation of NEGF into a simulator that quantitatively simulated resonant tunneling diodes. The development of efficient algorithms that simulate scattering from polar optical phonons, acoustic phonons, alloy disorder, and interface roughness...

Nanoelectronic Modeling Lecture 33: Alloy Disorder in Bulk
07 Jul 2010   Contributor(s):: Gerhard Klimeck, Timothy Boykin, Chris Bowen
This presentation discusses disorder in AlGaAs unstrained systems in bulk. Bandstructure of an ideal simple unit cellWhat happens when there is disorder?Concept of a supercellBand folding in a supercellBand extraction from the concept of approximate bandstructureComparison of alloy disorder with...

Nanoelectronic Modeling Lecture 34: Alloy Disorder in Quantum Dots
07 Jul 2010   Contributor(s):: Gerhard Klimeck, Timothy Boykin, Chris Bowen
This presentation discusses the consequences of Alloy Disorder in strained InGaAs Quantum Dots Reminder of the origin of bandstructure and bandstructure engineeringWhat happens when there is disorder?Concept of disorder in the local bandstructureConfiguration noise, concentration noise,...