Transport Properties of Surface-Modulated Gold Atomic-Chains and Nanofilms: Ab initio Calculations

Transport properties of gold atomic-chains and nanofilms under surface modulation are studied by performing self-consistent first-principle calculations. Quantum conducting channels of gold atomic-chains with absorbing atoms can be partly transparent or even blocked for certain injecting energies. Conductances of gold nanofilms with ridges show great dependence on their structures. We demonstrate that the transport properties of gold atomic-chains and nanofilms can be engineered through surface modulation, which may be helpful for designing low-dimensional nanodevices.