Tight Binding Parameters by DFT mapping

12 Sep 2012 | Notes | 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 parameters. …

https://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.

https://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 first-time user guide of OMEN Nanowire and done the examples in the guide should be able to run simulations in these homework …

https://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 electronic …

https://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 Tight-Binding Orbital Model 3D …

https://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. …

https://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 Tight-Binding Motivation and basic formula expressions Tight …

https://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 questions …

https://nanohub.org/resources/8598

ABACUS Exercise: Bandstructure – Kronig-Penney Model and Tight-Binding Exercise

20 Jul 2010 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

The objective of this exercise is to start with the simple Kronig-Penney model and understand formations of bands and gaps in the dispersion relation that describes the motion of carriers in 1D …

https://nanohub.org/resources/9372

Tight-Binding 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 Tight-Binding Method for band structure calculation.

https://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 single-walled nanotubes (SWNT) and multi-walled nanotubes (MWNT). These cylindrical carbon …

https://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 causes a …

https://nanohub.org/resources/8595

Lecture 2: Graphene Fundamentals

22 Sep 2009 | Online Presentations | Contributor(s): Supriyo Datta

Network for Computational Nanotechnology, Intel Foundation

https://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.

https://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 pyramid-shaped quantum dot using Quantum Dot Lab. Several powerful analytic features of this tool are demonstrated.

https://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.

https://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

Full-band 3D quantum transport simulation in nanowire structure

https://nanohub.org/resources/omenwire

Real space first-principles 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 approach. …

https://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, Hong-Hyun Park, Samarth Agarwal, Gerhard Klimeck

Poisson-Schrödinger Solver for 1D Heterostructures

https://nanohub.org/resources/1dhetero

Computational Nanoscience, Lecture 17: Tight-Binding, 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 Tight-Binding method to a simple system and then to introduce the concept of Density Functional Theory. The motivation to mapping …

https://nanohub.org/resources/4164