On a qualitative approach to the W (001) surface instability and reconstruction

Simple local theory based on the assumption of an important role of Shockley surface states from the vicinity of the Fermi energy in the electron-phonon interaction is used to classify possible reconstructions on the (001) surface of W and Mo. The main conclusion that in-plane deformations (and especially the zig-zag ¯M₅ one) are more promising than the buckled deformations compares favourably with the results of most of the existing experimental and theoretical investigations.The full (unrevised) version of this paper appeared as a TCM Technical Report (January 15, 1985) from the Cavendish Laboratory, Cambridge University, Cambridge, England, and is available from the first author (M.T.) upon request.