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Best method to calculate Phosphorene band gap apart from HSE06.
Closed | Responses: 0
We know that DFT-GGA 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...
What is the suitable tool for calculating the HOMO/LUMO of specific molecular?
what is conduction band alignment ratio of AlAs/InGaAs/AlAs DBQW ?
How to calculate the bandgap of a nano sized mixed metal oxide?
What is the effective mass of electron in InN (Quantum Dot)?
I am working with InN QD. I need to know the actual electron effective mass in http://nanohub.org/answers/question/1193
ECE 606 Lecture 6: Bandgap, Mass Measurements and Fermi-Dirac Statistics
28 Sep 2012 | | Contributor(s):: Gerhard Klimeck
GW for band gap calculations?
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...
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
How much heat energy will be released, if any, while an excited electron relaxes into the valence band in a direct band-gap material?
Open | Responses: 1
When electrons of a direct band-gap 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...
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 Tight-Binding Orbital Model 3D Schrödinger-Poisson 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 with...
Silicon-Germanium HBT simulation
Are there any tools to simulate SiGe HBT devices? The tools must that can also simulate the irradiation effects...
Periodic Potential Lab: First-Time User Guide
05 Jun 2009 | | Contributor(s):: Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck, SungGeun Kim, Lynn Zentner
This document provides guidance to first-time 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...