Tutorial: Implementing Slater-Koster Tight Binding Models in ATK
Introduction
Slater-Koster Tight Binding Models in ATK-SE
Implementing Your Own Models
Version
12.2.0
Copyright © 2008–2012 QuantumWise A/S
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Table of Contents
Introduction
Pi model for carbon
Introduction
Onsite element
Offsite elements
Usage examples
Band structure of graphene
Spin-polarized graphene nanoribbon with V-shaped notch
Nearest-neighbor model for silicon with dummy hydrogen atoms
Introduction
Onsite element
Offsite elements
Adding hydrogen
A slightly different take of the script
Usage examples
Band structure of silicon
Complex band structure of a narrow Si nanowire
Bibliography
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