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Tight binding model of TMD
04 Mar 2024 | | Contributor(s):: Chien-Ting Tung
This is a Matlab code of a tight binding model of TMD materials. It uses the orthogonal sp3d5 Slater-Koster tight binding method. The code is calibrated to the MoS2 band structure shown in "V. Mishra et al., IEEE Transactions on Electron Devices, vol. 62, no. 8, pp....
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ABACUS Tool Suite and Bandstructure and Band Models (Fall 2023)
22 Aug 2023 | | Contributor(s):: Gerhard Klimeck
In the third session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite barriers....
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ECE 606 L6.1: Electron Tunneling - Transfer Matrix Method
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L6.4: Electron Tunneling - Tunneling Through N Barriers - Formation of Bandstructure
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L7.1: Bandstructure - Problem Formulation
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L7.2 Bandstructure - Solutions
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L7.3: Bandstructure - Band Properties
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L9.1: Constant Energy Surfaces
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L10.1 Bandstructure - E(k) Diagrams in Specific Crystal Directions
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L10.2: Bandstructure - Constant Energy Surfaces - Effective Mass Tensor
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L10.3: Bandstructure - Density of States Effective Mass
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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ECE 606 L11.1: Bandgap Measurements
20 Jul 2023 |
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ECE 606 L13: Band Diagrams
20 Jul 2023 | | Contributor(s):: Gerhard Klimeck
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Interactive Modeling of Materials with Density Functional Theory Using the Quantum ESPRESSO Interface within the MIT Atomic Scale Modeling Toolkit
22 Nov 2022 | | Contributor(s):: Enrique Guerrero
We will explore the Quantum ESPRESSO interface within the MIT Atomic-Scale Modeling Toolkit with interactive examples. We will review the basics of density functional theory and then focus on the tool’s capabilities.
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A Guide to the MIT Atomic Scale Modeling Toolkit for nanoHUB.org
22 Nov 2022 | | Contributor(s):: Enrique Guerrero
This document is a guide to the Quantum ESPRESSO application within the >MIT Atomic Scale Modeling Toolkit The guide was designed to be presented as part II of the nanoHUB seminar “A condensed matter physics class and a Course-based Undergraduate Research Experience (CURE) with the MIT...
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A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit
07 Nov 2022 | | Contributor(s):: David Strubbe
In this presentation, Dr. Strubbe will discuss how he has been using the MIT Atomic-Scale Modeling Toolkit as a part of his undergraduate and graduate class on condensed matter physics. In discussion sections, simulations are performed to illustrate concepts like covalent bonding,...
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ABACUS Bandstructure Models (Spring 2022)
05 May 2022 | | Contributor(s):: Gerhard Klimeck
In the third session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite barriers....
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ABACUS Bandstructure Models (Winter 2021)
21 Dec 2021 | | Contributor(s):: Gerhard Klimeck
In the third session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite barriers...
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OctopusPY: Tool for Calculating Effective Mass from Octopus DFT Bandstructures
16 Aug 2021 | | Contributor(s):: Olivia M. Pavlic, Austin D. Fatt, Gregory T. Forcherio, Timothy A. Morgan, Jonathan Schuster
OctopusPY is a Python package supporting manipulation and analytic processing of electronic band structure data generated by the density functional theory (DFT) software Octopus. In particular, this package imports Octopus-calculated band structure for a given material and...
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MIT Atomic-Scale Modeling Toolkit
15 Jan 2008 | | Contributor(s):: David Strubbe, Enrique Guerrero, daniel richards, Elif Ertekin, Jeffrey C Grossman, Justin Riley
Tools for Atomic-Scale Modeling