First-principles calculations of contact effect on quantum transport in carbon nanotubes

We report first-principles calculations of conductance of carbon nanotubes between metallic electrodes. The electronic states are calculated using a numerical atomic orbital basis set in the framework of the density functional theory, and the conductance is calculated using the Greenʹs function method. We show transmission spectra of carbon nanotubes connected to electrodes and reveal the contact effect of electrodes on the transport properties of nanotubes.