title: Very-low-energy electron diffraction from TiS(2): experiment and ab initio theory.
abstract: An experimental and theoretical study of very-low-energy electron diffraction from the (0001) surface of 1T TiS(2) is presented. The normal incidence electron transmission spectrum is measured up to 37 eV above the Fermi level. Ab initio calculations of the spectra are performed with the full-potential extended linear augmented plane wave [Formula: see text] method. The experimental spectrum is interpreted in terms of the unoccupied complex band structure (CBS) of the semi-infinite crystal. Three CBS branches responsible for the electron transmission at normal incidence are determined. The role of inelastic scattering is discussed. The energy dependence of the optical potential V(i) is determined from the shape of the experimental spectral structures. A sharp increase of V(i) at 21.5 eV is detected, which is associated with a plasmon peak in the electron energy-loss function.
authors.affiliation: Institute of Metal Physics, National Academy of Sciences of Ukraine, Kiev, Ukraine. Departamento de Física de Materiales, Facultad de Químicas, Universidad del País Vasco, Apartado 1072, San Sebastián/Donostia, 20080 Basque Country, Spain. Donostia International Physics Center (DIPC), Paseo de Manuel Lardizibal, 4 San Sebastián/Donostia, 20018 Basque Country, Spain.
authors.forename: E E
authors.initials: EE
authors.lastname: Krasovskii
authors.forename: V N
authors.initials: VN
authors.lastname: Strocov