Basic Graphene Tutorial
Introduction
Transport in Graphene Nanoribbons
Tutorial
Version
12.2.0
Copyright © 2008–2012 QuantumWise A/S
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Table of Contents
Introduction
From graphite to graphene nanoribbons
Preparations
Prerequisites
Band structure of 2D graphene
Preface
Constructing graphene
Calculate the graphene band structure
The same thing, but with DFT
Band structure of an armchair ribbon
Building the armchair ribbon structure
Calculating the band structure
Transport properties of a zigzag nanoribbon
Transport properties of a perfect ribbon
Creating a distortion in the ribbon
Calculating the properties of the distorted ribbon
Non-self-consistent calculation
Equivalent bulk calculation
Open boundary self-consistent calculation
Comparing the transmission spectra
