Temperature dependence of surface phonons of Al(110)

Abstract

We study the surface phonons and resonances on the (100), (110), and (111) surfaces of aluminum based on a many-atom interatomic potential constructed through fitting to a large body of experimental and first-principles configurations. The surface phonons and resonances are calculated by use of time-dependent correlation functions from molecular-dynamics simulations. The results are compared with available experimental data and other first-principles calculations. Our study reveals that the temperature effects on the surface modes of Al(110) are important for the interpretation of experimental observations.