
Best method to calculate Phosphorene band gap apart from HSE06.
Closed  Responses: 0
We know that DFTGGA underestimates the Phosphorene band gap. HSE06 gives better result. Is there any other computational method apart from HSE06, which gives good result which is very...
https://nanohub.org/answers/question/1862

What is the suitable tool for calculating the HOMO/LUMO of specific molecular?
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https://nanohub.org/answers/question/1753

what is conduction band alignment ratio of AlAs/InGaAs/AlAs DBQW ?
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https://nanohub.org/answers/question/1587

How to calculate the bandgap of a nano sized mixed metal oxide?
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https://nanohub.org/answers/question/1407

What is the effective mass of electron in InN (Quantum Dot)?
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I am working with InN QD. I need to know the actual electron effective mass in https://nanohub.org/answers/question/1193

ECE 606 Lecture 6: Bandgap, Mass Measurements and FermiDirac Statistics
28 Sep 2012   Contributor(s):: Gerhard Klimeck

berri morad
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GW for band gap calculations?
Closed  Responses: 0
Hello there:
I am new to nanoHUB, so please forgive my ignorance. I am fascinated with it by the way!!!. I have briefly followed some tutorials. I am particularly interested in the band...
https://nanohub.org/answers/question/993

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

How much heat energy will be released, if any, while an excited electron relaxes into the valence band in a direct bandgap material?
Open  Responses: 1
When electrons of a direct bandgap material are excited by photons (from laser source) from conduction to valence band, how much are energy will be emitted in the form of heat during its...
https://nanohub.org/answers/question/614

Nanoelectronic Modeling Lecture 40: Performance Limitations of Graphene Nanoribbon Tunneling FETS due to Line Edge Roughness
08 Jul 2010   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 SchrödingerPoisson Solver Device Simulation Structure Optimization (Doping, Lg, VDD) LER => Localized Band Gap States LER =>...

Nanoelectronic Modeling Lecture 33: Alloy Disorder in Bulk
07 Jul 2010   Contributor(s):: Gerhard Klimeck, Timothy Boykin, Chris Bowen
This presentation discusses disorder in AlGaAs unstrained systems in bulk. Bandstructure of an ideal simple unit cellWhat happens when there is disorder?Concept of a supercellBand folding in a supercellBand extraction from the concept of approximate bandstructureComparison of alloy disorder...

SiliconGermanium HBT simulation
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Are there any tools to simulate SiGe HBT devices? The tools must that can also simulate the irradiation effects...
https://nanohub.org/answers/question/543

Periodic Potential Lab: FirstTime User Guide
05 Jun 2009   Contributor(s):: Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck, SungGeun Kim, Lynn Zentner
This document provides guidance to firsttime users of the Periodic Potential Lab tool. It offers basic information about solutions to the Schröedinger Equation in case of periodic potential in 1 dimension (1D). This document also contains suggested exercises to help users run the tool and...