Laboratory of Applied Physics, Technical University of Denmark, DK-2800, Lyngby, Denmark
School of Physics, Georgia Institute of Technology, Atlanta, GA 30332, USA
Abstract:
Molecular dynamics simulations of the disordering of Al(110) surfaces below the melting point are presented. Effective medium theory has been used to calculate the inter-atomic many-body interactions of the metallic system. The origin of the anisotropy of the disordering with respect to the direction along the surface deduced from LEED experiments is suggested to be mainly a consequence of the g2 dependence of the Debye-Waller factor even for non-harmonic interactions. Further evidence is presented showing that the disordering of the first layers coincides with the onset of surface vacancy formation.