
Bandstructure in Nanoelectronics
01 Nov 2005   Contributor(s):: Gerhard Klimeck
This presentation will highlight, for nanoelectronic device examples, how the effective mass approximation breaks down and why the quantum mechanical nature of the atomically resolved material needs to be included in the device modeling. Atomistic bandstructure effects in resonant tunneling...

Bandstructure of Carbon Nanotubes and Nanoribbons
14 Jun 2007   Contributor(s):: James K Fodor, Seokmin Hong, Jing Guo
This learning module introduces users to the CarbonNano Bands simulation tool, which simulates the bandstructure of Carbon Nanotubes (CNTs) and Nanoribbons (CNRs). To gives users a strong background in bandstructure, the module starts with sections that introduce bandstructure basics. To this...

Berkeley GW
27 Sep 2009   Contributor(s):: Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton
This is an educational tool that illustrates the calculation of the electronic structure of materials using manybody perturbation theory within the GW approximation

berri morad
http://nanohub.org/members/70498

Bulk Bandstructure in MATLAB: Pseudopotential Method
08 Feb 2010   Contributor(s):: Muhanad Zaki
This code (MATLAB) readily calculates and plots the bandstructure of Silicon (bulk) using the empirical pseudopotential method.Detailed instructions are in the compressed archive.I hope it would be a useful/interesting educational toolNote: If you are running this code in a nonWindows OS (e.g....

Christopher Browne
http://nanohub.org/members/95196

CNTbands
14 Dec 2006   Contributor(s):: Gyungseon Seol, Youngki Yoon, James K Fodor, Jing Guo, Akira Matsudaira, Diego Kienle, Gengchiau Liang, Gerhard Klimeck, Mark Lundstrom, Ahmed Ibrahim Saeed
This tool simulates Ek and DOS of CNTs and graphene nanoribbons.

CNTbands: FirstTime User Guide
14 Jun 2009   Contributor(s):: Xufeng Wang, Youngki Yoon
This is a simple guide designed for firsttime users of CNTbands. It gives a brief introduction of the tool and a series of tutorials to help users learn the basics of CNTbands.NCN@Purdue

CNTphonons
30 May 2006   Contributor(s):: Marcelo Kuroda, Salvador BarrazaLopez,
Calculates the phonon band structure of carbon nanotubes using the force constant method.

CNT_bands
09 Sep 2005   Contributor(s):: Jing Guo, Akira Matsudaira
Computes E(k) and the densityofstates (DOS) vs. energy for a carbon nanotube

Comparison of PCPBT Lab and Periodic Potential Lab
04 Aug 2009   Contributor(s):: Abhijeet Paul, Samarth Agarwal, Gerhard Klimeck, Junzhe Geng
This small presentation provides information about the comparison performed for quantum wells made of GaAs and InAs in two different tools. This has been done to benchmark the results from completely two different sets of tools and validate the obtained results. In this presentation we provide...

Computational Electronics HW  Bandstructure Calculation
11 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
www.eas.asu.edu/~vasileskNSF

Computational Nanoscience, Lecture 19: Band Structure and Some InClass Simulation: DFT for Solids
30 Apr 2008   Contributor(s):: Jeffrey C Grossman, Elif Ertekin
In this class we briefly review band structures and then spend most of our class on inclass simulations. Here we use the DFT for molecules and solids (Siesta) course toolkit. We cover a variety of solids, optimizing structures, testing kpoint convergence, computing cohesive energies, and...

Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
13 Feb 2008   Contributor(s):: Jeffrey C Grossman, Elif Ertekin
In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and nonderivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly...

Coupled Effect of Strain and Magnetic Field on Electronic Bandstructure of Graphene
03 Dec 2010   Contributor(s):: yashudeep singh
We explore the possibility of coupling between planar strain and perpendicular magnetic field on electronic bandstructure of graphene. We study uniaxially, biaxially and shear strained graphene under magnetic field. In line with Rammal’s formalism using nearest neighbor tight binding scheme we...

Debanjan Basu
http://nanohub.org/members/78136

Description of the K.P Method for Band Structure Calculation
04 Aug 2010   Contributor(s):: Dragica Vasileska
This set of slides describes the k.p mehod for band structure calculation.

Device Physics and Simulation of Silicon Nanowire Transistors
28 Sep 2006 
As the conventional silicon metaloxidesemiconductor fieldeffect transistor (MOSFET) approaches its scaling limits, many novel device structures are being extensively explored. Among them, the silicon nanowire transistor (SNWT) has attracted broad attention from both the semiconductor industry...

DFT Material Properties Simulator
21 Jul 2015   Contributor(s):: Gustavo Javier, Usama Kamran, David M Guzman, Alejandro Strachan, Peilin Liao
Compute electronic and mechanical properties of materials from DFT calculations with 1Click

E304 L6.1.1: Nanoelectrics  Electron Energy Bands
15 Apr 2016 