title: In-plane and out-of-plane diffraction of H(2) from metal surfaces.
abstract: We have measured in-plane and out-of-plane diffraction of H2 and D2 molecular beams scattered by reactive Pd(111) and nonreactive NiAl(110) surfaces at 140-150 meV. A comparison with six-dimensional quantum dynamics and classical trajectory calculations shows for the first time that accurate diffraction patterns can be obtained from state-of-the-art potential energy surfaces based on density functional theory. Our measurements show that, at general incidence conditions, out-of-plane diffraction is much more important than was assumed in previous experiments.
authors.affiliation: Departamento de Física de la Materia Condensada and Instituto Nicolás Cabrera, Universidad Autónoma, 28049 Madrid, Spain.
authors.forename: D
authors.initials: D
authors.lastname: Farías
authors.forename: C
authors.initials: C
authors.lastname: Díaz
authors.forename: P
authors.initials: P
authors.lastname: Rivière
authors.forename: H F
authors.initials: HF
authors.lastname: Busnengo
authors.forename: P
authors.initials: P
authors.lastname: Nieto
authors.forename: M F
authors.initials: MF
authors.lastname: Somers
authors.forename: G J
authors.initials: GJ
authors.lastname: Kroes
authors.forename: A
authors.initials: A
authors.lastname: Salin
authors.forename: F
authors.initials: F
authors.lastname: Martín