Dynamics of free surfaces in model fcc, hcp and L1₂ structures

Abstract

Dynamic properties of free surfaces in their relaxed configuration obtained by the static relaxation method, are studied in fcc Ni and Al, hcp Ti and the L1₂ alloy Ni₃Al. The (001), (110) and (111) surfaces are analysed for the fcc and Li₂ structures and the (0001), (1210) and (1010) surfaces for the hcp structure. Interatomic potentials of the embedded-atom method type are used to calculate vibrational eigenfrequencies obtained through the Einstein and ‘cluster’ approaches for the atoms on the first few layers.