Using Brownian molecular dynamics simulation, a study was made of the surface dynamics near to the reconstruction transition of W(100) via a model Hamiltonian. Results for the softening and broadening of the surface phonon spectrum near the transition were compared with previous calculations and with He atom scattering data. From the critical behaviour of the central peak in the dynamical structure factor, the exponent of the power-law anomaly for adatom diffusion near the transition temperature was also estimated.

Dynamics Near the Surface Reconstruction of W(100). M.R.Baldan, E.Granato, S.C.Ying: Physical Review B, 2000, 62, 2146-50