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Electronic Structure and Transport Properties of Graphene on Hexagonal Boron Nitride
06 Dec 2018 | Contributor(s):: Shukai Yao, Luis Regalado Bermejo, Alejandro Strachan
Graphene is a zero-bandgap conductor with high carrier mobility. It is desired to search for an opening of band structure of graphene such that this kind of material can be applied in electronic devices. Depositing hexagonal Boron Nitride (h-BN) opens a bandgap in the band structure of...
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Electronic Transport Through Self-Assembled Monolayers
Online Presentations | 25 Feb 2004 | Contributor(s):: Takhee Lee
Characterization of charge transport in molecular scale electronic devices has to date shown exquisite sensitivity to specifics of device fabrication and preparation. Thus, intrinsic molecular band structure has been problematic to extract from published results. Here we demonstrate...
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Empirical Pseudopotential Method: Theory and Implementation
Teaching Materials | 16 May 2010 | Contributor(s):: Dragica Vasileska
This tutorial first teaches the users the basic theory behind the Empirical Pseudopotential (EPM)Bandstructure Calculation method. Next, the implementation details of the method are described and finally a MATLAB implementation of the EPM is provided.vasileska.faculty.asu.eduNSF
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Energy Bands as a Function of the Geometry of the n-Well Potential: an Exercise
Teaching Materials | 05 Jul 2008 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck
Explores the position and the width of the bands as a function of the 10-barrier potential parameters. NSF
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Energy Bands In Periodic Potentials
Online Presentations | 11 Jan 2007 | Contributor(s):: Heng Li
It is the Kronig-Penny Model.The particle in one-dimensional lattice is a problem that occurs in the model of periodic crystal lattice.The potential is caused by periodic arrangement of ions in the crystal structure. The graph presents the real part of transmission matrix element P11 plotted...
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Engineering at the nanometer scale: Is it a new material or a new device?
Online Presentations | 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.
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Homework Assignment: Periodic Potentials
Teaching Materials | 31 Jan 2008 | Contributor(s):: David K. Ferry
Using the Periodic Potential Lab on nanoHUB determine the allowed bands for an energy barrier of 5 eV, a periodicity W = 0.5nm, and a barrier thickness of 0.1nm. How do these bands change if the barrier thickness is changed to 0.2 nm?
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Illinois ECE 440: Diffusion and Energy Band Diagram Homework
Teaching Materials | 27 Jan 2010 | Contributor(s):: Mohamed Mohamed
This homework covers Diffusion of Carriers, Built-in Fields and Metal semiconductor junctions.
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InAs: Evolution of iso-energy surfaces for heavy, light, and split-off holes due to uniaxial strain.
Animations | 21 May 2010 | Contributor(s):: Abhijeet Paul, Denis Areshkin, Gerhard Klimeck
Movie was generated using Band Structure Lab tool at nanoHUB and allows to scan over four parameters:Hole energy measured from the top of the corresponding band (i.e. the origin of energy scales for LH and SOH is different)Strain direction: [001], [110], [111]Carrier type: LH, HH, SOHStrain...
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Interactive Modeling of Materials with Density Functional Theory Using the Quantum ESPRESSO Interface within the MIT Atomic Scale Modeling Toolkit
Online Presentations | 03 Nov 2022 | Contributor(s):: Enrique Guerrero
We will explore the Quantum ESPRESSO interface within the MIT Atomic-Scale Modeling Toolkit with interactive examples. We will review the basics of density functional theory and then focus on the tool’s capabilities.
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Introduction to CNTbands
Online Presentations | 28 Jun 2007 | Contributor(s):: James K Fodor, Jing Guo
This learning module introduces nanoHUB users to the CNTbands simulator. A brief introduction to CNTbands 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...
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Learning Module: Band Structure for Pure and Doped Silicon
Teaching Materials | 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...
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Lecture 3: Low Bias Transport in Graphene: An Introduction
Online Presentations | 18 Sep 2009 | Contributor(s):: Mark Lundstrom
Outline:Introduction and ObjectivesTheoryExperimental approachResultsDiscussionSummaryLecture notes are available for this lecture.
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Low Bias Transport in Graphene: An Introduction (lecture notes)
Presentation Materials | 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 20-24, 2009.
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MATLAB Scripts for "Quantum Transport: Atom to Transistor"
Downloads | 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...
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MCW07 Electronic Level Alignment at Metal-Molecule Contacts with a GW Approach
Online Presentations | 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 systems,...
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MCW07 Impact of Porphyrin Functional Groups on InAs Gas Sensors
Online Presentations | 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 HOMO-LUMO levels deplete surface states during functionalization of solid state sensors. Additionally, the effect of...
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ME 597 Lecture 1: Introduction to Basic Quantum Mechanics
Online Presentations | 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
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ME 697R Lecture 5.2: First Principles Method - Electronic Structure of Solids
Online Presentations | 29 Oct 2019 | Contributor(s):: Xiulin Ruan
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Metal Oxide Nanowires as Gas Sensing Elements: from Basic Research to Real World Applications
Online Presentations | 21 Sep 2009 | Contributor(s):: andrei kolmakov
Quasi 1-D 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...