Surface phase transition and electronic structure of c(5 root 2 x root 2)R45 degrees-Pb/Cu(100)

The c(5 root 2 x root 2)R45 degrees-Pb/Cu(100) surface phase is investigated by means of angle resolved ultraviolet photoemission and low energy electron diffraction in the temperature range between 300 and 550 K. We identify and characterize a temperature-induced surface phase transition at 440 K from the room temperature e(5 root 2 x root 2) R45 degrees phase to a (root 2 x root 2)R45 degrees structure with split superstructure spots. The phase transition is fully reversible and takes place before the two-dimensional melting of the structure at 520 K. The electronic structure of the split (root 2 x root 2)R45 degrees phase is characterized by a metallic free-electron like surface band. This surface band is backfolded with c(5 root 2 x root 2)R45 degrees periodicity phase at room temperature, giving rise to a surface band gap at the Fermi energy. We propose that a gain in electronic energy explains in part the stability of the c(5 root 2 x root 2)R45 degrees phase. (c) 2006 Elsevier B.V. All rights reserved.