title: Surface phonons on Pb(111).
abstract: We present an ab initio study of the lattice dynamics of the Pb(111) surface. The calculations were carried out within the density-functional theory using a linear response approach in the mixed-basis pseudopotential representation. We observe a rich spectrum of surface localized modes, and make a detailed assignment to measured modes in a recent helium-atom scattering experiment. We find that the inclusion of spin–orbit coupling considerably softens the phonon spectrum of the surface, thereby improving the agreement with experiment significantly.
authors.affiliation: Donostia International Physics Center, 20018 San Sebastián/Donostia, Basque Country, Spain.
authors.forename: I Yu
authors.initials: IY
authors.lastname: Sklyadneva
authors.forename: R
authors.initials: R
authors.lastname: Heid
authors.forename: K-P
authors.initials: KP
authors.lastname: Bohnen
authors.forename: P M
authors.initials: PM
authors.lastname: Echenique
authors.forename: E V
authors.initials: EV
authors.lastname: Chulkov