Electronic and Elastic Properties of Helical Nickel Nanowires

Abstract

The structural and elastic properties of ultrathin nickel nanowires areinvestigated by using molecular dynamics simulation with a Sutton–Chenpotential. Helical multi-shell structures are obtained as the moststable structures for Ni nanowires with diameters of about 1 nm. Theelectronic states of these nanowires are computed and compared withthat of Ni solid. The mechanical responses of the helical nanowiresunder tensile forces are simulated. We observe elastic deformation ofnanowires characterized by periodic oscillations of the nanowire lengthunder constant force. Within an elastic limit, both the atomicstructures and the electronic structures remain stable under externaltensile loading.