Dynamical behaviour of 7-1 gold nanowire under different axial tensile strains

摘要

The phonon spectrum has in recent years attracted much interest in investigating electrical transfer in nanowires. In this study, molecular dynamics is employed to calculate the phonon property of thinness for 7-1 gold nanowire at room temperature. This study finds that the phonon density distribution of 7-1 nanowire is different from both that of bulk face-centred cubic (fcc) structure and that of nanoparticles. We also observed that the high frequency of the phonon spectrum in the bulk fcc structure has a higher intensity than the low frequency of the phonon spectrum. This phenomenon, however, does not appear in the 7-1 nanowire. The strain effect of 7-1 nanowire on the phonon property has also been studied; moreover, the phonon spectra of core - core and shell - shell structures of nanowire exhibit two different modes. The relationship between the phonon profile of these core and shell structures is analysed in this study.