The full k-dependent surface phonon spectrum of the W(001) surface was calculated via a molecular dynamics study of velocity-velocity correlations as the temperature varied across the c(2 x 2) reconstruction phase transition. The softening/broadening behaviour of the low-lying modes compares well with inelastic He-scattering data and indicated order-disorder behaviour in a large neighbourhood of the reconstruction transition. New predictions were made for the T-dependent behaviour of other branches.

Temperature-Dependent Surface Phonon Dispersion of Reconstructed W(001). C.Z.Wang, A.Fasolino, E.Tosatti: Europhysics Letters, 1988, 7[3] 263-8