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is there a way to calculate electronic structure of highly mismatched semiconductor alloys ?
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how one can perform electronic structure calculations of familly of highly mismatched semiconductor alloys for some given composition proportion?
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
Bismide Semiconductors: Revolutionising Telecom Lasers
16 Oct 2015 | | Contributor(s):: Muhammad Usman, Christopher A Broderick, Eoin P O\'reilly
Today’s telecomm lasers are plagued with Auger-related losses, which significantly reduce their efficiency and make device cooling essential. We are proposing a radical change in the laser technology by developing a new class of materials, bismide semiconductors. These novel nanomaterials...
Ganesh Krishna Hegde
Learning Module: Bonding and Band Structure in Silicon
The main goal of this learning module is to help students learn about the correlation between atomic structure and electronic properties, and help them develop a more intuitive understanding of...
OPV: First Principles Studies of the Electronic Structure of Organic Solids and Interfaces
20 Jan 2011 | | Contributor(s):: Sahar Sharifzadeh
This presentation was part of the "Organic Photovoltaics: Experiment and Theory" workshop at the 2010 Users' Meeting of the Molecular Foundry and the National Center for Electron Microscopy, both DOE-funded Research Centers at Lawrence Berkeley National Laboratory.
OPV: Time Domain Ab Initio Studies of Organic-Inorganic Composites for Solar Cells
21 Jan 2011 | | Contributor(s):: Oleg Prezhdo
Quantitative Modeling and Simulation of Quantum Dots
16 Jul 2010 | | Contributor(s):: Muhammad Usman
Quantum dots grown by self-assembly process are typically constructed by 50,000 to 5,000,000 structural atoms which confine a small, countable number of extra electrons or holes in a space that is comparable in size to the electron wavelength. Under such conditions quantum dots can be...
Resources for Materials Science and Engineering
Ab initio electronic structure simulation tools
:ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...
Ronald Marcelo Barcia
05 Mar 2008 | | Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Joe Ringgenberg, daniel richards, Alexander S McLeod, Eric Isaacs, Jeffrey B. Neaton
Use SIESTA to perform electronic structure calculations