First-principles approach to electrical transport in atomic-scale nanostructures
First-principles approach to electrical transport in atomic-scale nanostructures
We present a first-principles numerical implementation of Landauer formalism for electrical transport in nanostructures characterized down to the atomic level. The novelty and interest of our method lie essentially on two facts. First of all, it makes use of the versatile GAUSSIAN98 code, which is widely used within the quantum …