Intensity-Energy Spectra for Nickel Using an Exact Multiple-Scattering Method with Layer-Dependent Vibration Amplitudes

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Abstract
Intensity-energy spectra are calculated for the specular and nonspecular beams on the (001) and (110) faces of nickel for a wide range of incident angles and energies between 0 and 200 eV. Calculations are done using a rigid-lattice model and a finite-temperature model with layer-dependent vibration amplitudes for the surface layers. It is found that good agreement is obtained between room-temperature calculated results and experiment in peak positions, peak widths, and angular evolution of the profiles on both faces of nickel. The rigid-lattice model gives calculated absolute reflectivities about four times too high compared to experiment at energies above 100 eV on the (001) face. However, room-temperature calculated results agree well with experiment in absolute reflectivities on both the (001) and (110) faces. A single inner potential places calculated peak positions in good agreement with experiment on both Ni (001) and Ni (110). Results of this work and other recent calculations on nickel provide a useful and complete set of spectra analyses for clean faces of a transition metal.