Structure and stability of finite gold nanowires
G. Bilalbegovic
Abstract
Finite gold nanowires containing less than 1000 atoms are studied using the molecular dynamics simulation method and embedded atom potential. Nanowires with the face-centered cubic structure and the (111) oriented cross-section are prepared at T=0 K. After annealing and quenching the structure and vibrational properties of nanowires are studied at room temperature. Several of these nanowires form multi-walled structures of lasting stability. They consist of concentrical cylindrical sheets and resemble multi-walled carbon nanotubes. Vibrations are investigated by diagonalization of the dynamical matrix. It was found that several percents of vibrational modes are unstable because of uncompleted restructuring of initial fcc nanowires.
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