
Learning Module: Band Structure for Pure and Doped Silicon
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...

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 zerobandgap 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 (hBN) opens a bandgap in the band structure of...

ECE 695NS Lecture 5: Bandstructures for Electrooptic Systems
27 Jan 2017   Contributor(s):: Peter Bermel
Outline:Bandstructure problemBloch's theoremPhotonic bandstructures1D2D

ECE 695NS Lecture 6: Photonic Bandstructures
27 Jan 2017   Contributor(s):: Peter Bermel
Outline:Bandstructure symmetries2D Photonic bandstructuresPhotonic waveguide bandstructuresPhotonic slab bandstructures3D Photonic lattice types + bandstructures

ECE 695NS Lecture 7: Photonic Bandstructure Calculations
27 Jan 2017   Contributor(s):: Peter Bermel
Outline:Maxwell eigenproblemMatrix decompositionsReformulating the eigenproblemsIterative eigensolversConjugate gradient solversPreconditionersDavidson solversTargeted solvers

NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool
: From Basic Physics to Real Devices and to Global Impact on nanoHUB.org
10 Nov 2016   Contributor(s):: Gerhard Klimeck
The Nanoelectronic Modeling tool suite NEMO5 is aimed to comprehend the critical multiscale, multiphysics phenomena and deliver results to engineers, scientists, and students through efficient computational approaches. NEMO5’s general software framework easily includes any kind of...

NEMO5 and 2D Materials: Tuning Bandstructures, Wave Functions and Electrostatic Screening
19 Oct 2016   Contributor(s):: Tillmann Christoph Kubis
In this talk, I will briefly discuss the MLWF approach and compare it to DFT and atomistic tight binding. Initial results using the MLWF approach for 2D material based devices will be discussed and compared to experiments. These results unveil systematic band structure changes as functions of the...

NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool
19 Sep 2016   Contributor(s):: Gerhard Klimeck
The Nanoelectronic Modeling tool suite NEMO5 is aimed to comprehend the critical multiscale, multiphysics phenomena and deliver results to engineers, scientists, and students through efficient computational approaches. NEMO5’s general software framework easily includes any kind of...

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

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

ECE 595E Lecture 23: Electronic Bandstructures
04 Mar 2013   Contributor(s):: Peter Bermel
Outline:3D Lattice TypesFull 3D Photonic Bandgap StructuresYablonoviteWoodpileInverse OpalsRodHole 3D PhCs

PHYS 620 Lecture 5: Diamond and Zincblende Semiconductors: Band Structure
13 Feb 2013   Contributor(s):: Roberto Merlin

ECE 595E Lecture 25: Further Bandstructure Simulation Tools
19 Mar 2013   Contributor(s):: Peter Bermel
Outline:Recap from WednesdayPeriodic Potential LabBasic principlesInput InterfaceExemplary OutputsCNTbandsBasic principlesInput InterfaceExemplary Outputs

ECE 595E Lecture 21: 3D Bandstructures
04 Mar 2013   Contributor(s):: Peter Bermel
Outline:Recap from MondayBandstructure Symmetries2D Photonic BandstructuresPeriodic Dielectric WaveguidesPhotonic Crystal Slabs

ECE 595E Lecture 24: Electronic Bandstructure Simulation Tools
19 Mar 2013   Contributor(s):: Peter Bermel
Outline:Electronic bandstructure labBasic PrinciplesInput InterfaceExemplary OutputsDensity functional theory (DFT)DFT in Quantum ESPRESSO

ECE 595E Lecture 22: Full 3D Bandgaps
04 Mar 2013   Contributor(s):: Peter Bermel
Outline:Recap from Wednesday3D Lattice TypesFull 3D Photonic Bandgap StructuresYablonoviteWoodpileInverse OpalsRodHole 3D PhCs

ECE 595E Lecture 20: Bandstructure Concepts
04 Mar 2013   Contributor(s):: Peter Bermel
Outline:Recap from FridayBandstructure Problem FormulationBloch’s TheoremReciprocal Lattice SpaceNumerical Solutions1D crystal2D triangular lattice3D diamond lattice

ECE 606 Lecture 3: Emergence of Bandstructure
31 Aug 2012   Contributor(s):: Gerhard Klimeck
Table of Contents:00:00ECE606: Solid State Devices Lecture 300:24Motivation01:17Timeindependent Schrodinger Equation02:22Timeindependent Schrodinger Equation04:23A Simple Differential Equation05:29Presentation Outline05:46Full Problem Difficult: Toy Problems First06:07Case 1: Solution for...

NEMO5 Overview Presentation
17 Jul 2012   Contributor(s):: Tillmann Christoph Kubis, Michael Povolotskyi, Jean Michel D Sellier, James Fonseca, Gerhard Klimeck
This presentation gives an overview of the current functionality of NEMO5.

ECE 656 Lecture 3: Density of States
29 Aug 2011   Contributor(s):: Mark Lundstrom
Outline:Density of statesExample: grapheneDiscussionSummary