Dynamics near the Surface Reconstruction of W(100)

Abstract

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