Fullerene-based molecular nanobridges: A first-principles study
Fullerene-based molecular nanobridges: A first-principles study
Building upon traditional quantum-chemistry calculations, we have implemented an ab initio method to study the electrical transport in nanocontacts. We illustrate our technique calculating the conductance of ${\mathrm{C}}_{60}$ molecules connected in various ways to Al electrodes characterized at the atomic level. Central to a correct estimate of the electrical current …