Phonon spectra in ultrathin gold nanowire under stretching

Abstract

In recent years, the phonon spectrum has attracted much interest in investigations of electric transfer in nanowires. In this study, molecular dynamics is employed to calculate the phonon characteristics of thinness for 7-1 gold nanowire stretched at room temperature. This study finds that the two major peaks of phonon density of state (DOS) of 7-1 nanowire represent low characteristic frequency shifts to the left, while high characteristic frequency is less significant changed compared with the characteristic frequency in bulk. The high frequency intensity of DOS for 7-1 nanowire is lower than that of low frequency. The low frequency shifts left for large elastic strain during elastic deformation. Moreover, the phonon spectrums of one-atom chain structures formed before the nanowire breaks becomes discrete. The influences of local atomic arrangement and stretch condition on the phonon profile are analyzed in this study.