First-Principles Phase-Coherent Transport in Metallic Nanotubes with Realistic Contacts
First-Principles Phase-Coherent Transport in Metallic Nanotubes with Realistic Contacts
We present first-principles calculations of phase coherent electron transport in a carbon nanotube (CNT) with realistic contacts. We focus on the zero-bias response of open metallic CNT's considering two archetypal contact geometries (end and side) and three commonly used metals as electrodes (Al, Au, and Ti). Our ab-initio electrical transport …