
Tight Binding Parameters by DFT mapping
12 Sep 2012  Presentation Materials  Contributor(s): Yaohua Tan, Michael Povolotskyi, Tillmann Christoph Kubis, Yu He, Zhengping Jiang, Gerhard Klimeck, Timothy Boykin
The Empirical Tight Binding(ETB) method is widely used in atomistic device simulations. The reliability of such simulations depends very strongly on the choice of basis sets and the ETB...
http://nanohub.org/resources/15173

OMEN Nanowire: solve the challenge
05 Feb 2011  Teaching Materials  Contributor(s): SungGeun Kim
This document includes a challenging problems for OMEN Nanowire users. It challenges users to establish a nanowire transistor structure such that it satisfy the ITRS 2010 requirements.
http://nanohub.org/resources/10764

OMEN Nanowire Homework Problems
24 Jan 2011  Teaching Materials  Contributor(s): SungGeun Kim
OMEN Nanowire homework problems: anyone who has gone through the firsttime user guide of OMEN Nanowire and done the examples in the guide should be able to run simulations in these homework...
http://nanohub.org/resources/10512

Thermoelectric effects in semiconductor nanostructures: Role of electron and lattice properties
06 Oct 2010  Online Presentations  Contributor(s): Abhijeet Paul, Gerhard Klimeck
This presentation covers some aspects of present development in the field of thermoelectricity and focuses particularly on the silicon nanowires as potential thermoelectric materials. The...
http://nanohub.org/resources/9787

Nanoelectronic Modeling Lecture 40: Performance Limitations of Graphene Nanoribbon Tunneling FETS due to Line Edge Roughness
05 Aug 2010  Online Presentations  Contributor(s): Gerhard Klimeck, Mathieu Luisier
This presentation the effects of line edge roughness on graphene nano ribbon (GNR) transitors..
Learning Objectives:
GNR TFET Simulation
pz TightBinding Orbital Model
3D...
http://nanohub.org/resources/9283

Nanoelectronic Modeling Lecture 32: Strain Layer Design through Quantum Dot TCAD
04 Aug 2010  Online Presentations  Contributor(s): Gerhard Klimeck, Muhammad Usman
This presentation demonstrates the utilization of NEMO3D to understand complex experimental data of embedded InAs quantum dots that are selectively overgrown with a strain reducing InGaAs layer....
http://nanohub.org/resources/9272

Nanoelectronic Modeling Lecture 29: Introduction to the NEMO3D Tool
04 Aug 2010  Online Presentations  Contributor(s): Gerhard Klimeck
This presentation provides a very high level software overview of NEMO3D. The items discussed are:
Modeling Agenda and Motivation
TightBinding Motivation and basic formula...
http://nanohub.org/resources/8599

Nanoelectronic Modeling Lecture 28: Introduction to Quantum Dots and Modeling Needs/Requirements
20 Jul 2010  Online Presentations  Contributor(s): Gerhard Klimeck
This presentation provides a very high level software overview of NEMO1D.
Learning Objectives:
This lecture provides a very high level overview of quantum dots. The main issues and...
http://nanohub.org/resources/8598

ABACUS Exercise: Bandstructure – KronigPenney Model and TightBinding Exercise
20 Jul 2010  Teaching Materials  Contributor(s): Dragica Vasileska, Gerhard Klimeck
The objective of this exercise is to start with the simple KronigPenney model and understand formations of bands and gaps in the dispersion relation that describes the motion of carriers in 1D...
http://nanohub.org/resources/9372

TightBinding Band Structure Calculation Method
08 Jun 2010  Teaching Materials  Contributor(s): Dragica Vasileska, Gerhard Klimeck
This set of slides describes on simple example of a 1D lattice, the basic idea behind the TightBinding Method for band structure calculation.
http://nanohub.org/resources/9122

Carbon nanotube bandstructure
22 Apr 2010  Animations  Contributor(s): Saumitra Raj Mehrotra, Gerhard Klimeck
Carbon nanotubes are allotropes of carbon with a cylindrical nanostructure, and can be categorized into singlewalled nanotubes (SWNT) and multiwalled nanotubes (MWNT). These cylindrical carbon ...
http://nanohub.org/resources/8807

Nanoelectronic Modeling Lecture 25b: NEMO1D  Hole Bandstructure in Quantum Wells and Hole Transport in RTDs
09 Mar 2010  Online Presentations  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...
http://nanohub.org/resources/8595

Lecture 2: Graphene Fundamentals
22 Sep 2009  Online Presentations  Contributor(s): Supriyo Datta
Network for Computational Nanotechnology,
Intel Foundation
http://nanohub.org/resources/7384

Band Structure Lab Demonstration: Bulk Strain
12 Jun 2009  Animations  Contributor(s): Gerhard Klimeck
This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated.
http://nanohub.org/resources/6815

Quantum Dot Lab Demonstration: Pyramidal Qdots
11 Jun 2009  Animations  Contributor(s): Gerhard Klimeck, Benjamin P Haley
This video shows the simulation and analysis of a pyramidshaped quantum dot using Quantum Dot Lab. Several powerful analytic features of this tool are demonstrated.
http://nanohub.org/resources/6845

OMEN Nanowire Demonstration: Nanowire Simulation and Analysis
11 Jun 2009  Animations  Contributor(s): Gerhard Klimeck, Benjamin P Haley
This video shows the simulation and analysis of a nanowire using OMEN Nanowire. Several powerful analytic features of this tool are demonstrated.
http://nanohub.org/resources/6833

OMEN Nanowire
02 Sep 2008  Tools  Contributor(s): SungGeun Kim, Mathieu Luisier, Benjamin P Haley, Abhijeet Paul, Saumitra Raj Mehrotra, Gerhard Klimeck
Fullband 3D quantum transport simulation in nanowire structure
http://nanohub.org/resources/omenwire

Real space firstprinciples semiempirical pseudopotentials for Fe/MgO/Fe
03 Dec 2008  Downloads  Contributor(s): Kirk H. Bevan
A set of semiempirical pseudopotentials for the atomistic modeling of Fe/MgO/Fe tunnel junctions. See the attached document for a full description of their derivation and the modeling...
http://nanohub.org/resources/5997

1D Heterostructure Tool
04 Aug 2008  Tools  Contributor(s): Arun Goud Akkala, Sebastian Steiger, Jean Michel D Sellier, Sunhee Lee, Michael Povolotskyi, Tillmann Christoph Kubis, HongHyun Park, Samarth Agarwal, Gerhard Klimeck, James Fonseca, Archana Tankasala
PoissonSchrödinger Solver for 1D Heterostructures
http://nanohub.org/resources/1dhetero

Computational Nanoscience, Lecture 17: TightBinding, and Moving Towards Density Functional Theory
21 Mar 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
The purpose of this lecture is to illustrate the application of the TightBinding method to a simple system and then to introduce the concept of Density Functional Theory. The motivation to...
http://nanohub.org/resources/4164