The near-edge X-ray adsorption fine structure (NEFAXS) yields information on both the geometric and electronic structure. We performed NEXAFS studies on the O-Ni(111) system. Multiple scattering calculations for the NEXAFS have been performed using the ICXANES program which is based on a real space cluster method and includes full multiple scattering. The cluster is divided into concentric shells of scatterers around the absorbing atom. The scattering properties of each shell are described by phase shifts which are calculated from one-electron muffin-tin potentials. Best agreement between experiment and calculation was obtained for a three-fold coordinated fcc adsorption site on a Ni(111) surface.
NEXAFS of the p(2 × 2) and (√3 × √3)R 30°-O-Ni(111) systems. A multiple scattering analysis / M., Pedio; L., Becker; B., Hillert; D'Addato, Sergio; J., Haase. - In: VACUUM. - ISSN 0042-207X. - STAMPA. - 41:(1990), pp. 741-742.
NEXAFS of the p(2 × 2) and (√3 × √3)R 30°-O-Ni(111) systems. A multiple scattering analysis
D'ADDATO, Sergio;
1990
Abstract
The near-edge X-ray adsorption fine structure (NEFAXS) yields information on both the geometric and electronic structure. We performed NEXAFS studies on the O-Ni(111) system. Multiple scattering calculations for the NEXAFS have been performed using the ICXANES program which is based on a real space cluster method and includes full multiple scattering. The cluster is divided into concentric shells of scatterers around the absorbing atom. The scattering properties of each shell are described by phase shifts which are calculated from one-electron muffin-tin potentials. Best agreement between experiment and calculation was obtained for a three-fold coordinated fcc adsorption site on a Ni(111) surface.Pubblicazioni consigliate
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