An angle-resolved photo-emission study was used to elucidate the driving mechanism of Mo(001) surface reconstruction. For the first time, a remarkable change in the shapes of the Fermi contours was found upon cooling, which revealed a significant nesting at k∥ = 0.65/Å, extended 0.30/Å perpendicular to the ¯Σ axis. The results suggested that reconstruction should occur essentially by Peierls-type 2kF instabilities with significant matrix-element effects.

Evidence for the Origin of Reconstruction of the Mo(001) Surface. J.W.Chung, K.S.Shin, D.H.Baek, C.Y.Kim, H.W.Kim, S.K.Lee, C.Y.Park, S.C.Hong, T.Kinoshita, M.Watanabe, A.Kakizaki, T.Ishii: Physical Review Letters, 1992, 69, 2228-31