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In solid-state physics, the electronic band structure of a solid describes ranges of energy that an electron is "forbidden" or "allowed" to have. It is a function of the diffraction of the quantum mechanical electron waves in the periodic crystal lattice with a specific crystal system and Bravais lattice. The band structure of a material determines several characteristics, in particular its electronic and optical properties. More information on Band structure can be found here.
Bandstructure in Nanoelectronics
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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 Carbon-Nano 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...
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 many-body perturbation theory within the GW approximation
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 non-Windows OS (e.g....
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 E-k and DOS of CNTs and graphene nanoribbons.
CNTbands: First-Time User Guide
14 Jun 2009 | | Contributor(s):: Xufeng Wang, Youngki Yoon
This is a simple guide designed for first-time 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
30 May 2006 | | Contributor(s):: Marcelo Kuroda, Salvador Barraza-Lopez,
Calculates the phonon band structure of carbon nanotubes using the force constant method.
09 Sep 2005 | | Contributor(s):: Jing Guo, Akira Matsudaira
Computes E(k) and the density-of-states (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
Computational Nanoscience, Lecture 19: Band Structure and Some In-Class 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 in-class simulations. Here we use the DFT for molecules and solids (Siesta) course toolkit. We cover a variety of solids, optimizing structures, testing k-point 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 non-derivative 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 uni-axially, bi-axially and shear strained graphene under magnetic field. In line with Rammal’s formalism using nearest neighbor tight binding scheme we...
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 metal-oxide-semiconductor field-effect 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 1-Click
E304 L6.1.1: Nanoelectrics - Electron Energy Bands
15 Apr 2016 |