Lead overlayer dynamics on Ni(111)

Ultrathin lead films on metallic and semiconductor substrates are technologically demanded and actively studied by different experimental and theoretical methods. The formation of these films gives rise to new adsorbate-induced electron states and vibrational modes. The dynamical properties of atoms on surfaces depend sensitively on their bonding environment and thus provide valuable insight into the local geometry and chemical bonding at the boundary of a solid. In this paper, the vibrational properties of the , (3 × 3) and (4 × 4) overlayers formed by the adsorption of 1/3, 4/9, and 9/16 Pb ML, respectively, on the Ni(111) surface were studied for the first time. The surface relaxations, phonon modes and the local density of states were analyzed. We revealed the role of substrate dynamics in the stability of the Pb/Ni(111) system at submonolayer Pb adsorption.