Modeling extended contacts to nanotube and graphene devices

Abstract

Carrier injection into carbon nanotubes and graphene nanoribbons, contacted by a metal coating over an arbitrary length, is studied by various means: Minimal models allow for exact analytic solutions which can be transferred to the original system with high precision. Microscopic ab initio calculations of the electronic structure at the carbon-metal interface allow us to extract -- for Ti and Pd as contacting materials -- realistic parameters, which are then used in large scale tight-binding models for transport calculations. The results are shown to be robust against nonepitaxially grown electrodes and general disorder at the interface, as well as various refinements of the model.

13 pages, 13 figures

References in corpus (15)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Half-Metallic Graphene Nanoribbons
• Graphene Nano-Ribbon Electronics
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• First Principles Study of Work Functions of Single Wall Carbon Nanotubes
• Contact Dependence of Carrier Injection in Carbon Nanotubes: An Ab Initio Study
• Effective contact model for transport through weakly-doped graphene
• Role of contact bonding on electronic transport in metal-carbon nanotube-metal systems
• Vibrational effects in the linear conductance of carbon nanotubes
• Resonant tunneling through a C60 molecular junction in liquid environment
• Nanotube-Metal Junctions: 2- and 3- Terminal Electrical Transport
• Effect of Contact Interfaces on Quantum Conductance of Armchair Nanotubes

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