First-principles simulation of the field emission from noble metal nanowires

We carry out a theoretical study on the field emission from the nanowire which is composed of noble metal elements such as silver or gold. Our calculations are based on the first-principles density functional theory within a localized basis scheme using the SIESTA package. Electronic states and the potential of the system under finite applied voltages are determined self-consistently. Through explicit time evolution of the wavefunction, we obtain the emission current and the shape of the charge density distribution of the emitted electrons from noble metal nanowire tip.