Cluster calculations of the soft X-ray L₃emission spectra of nickel and copper

The application of a cluster method in the context of multiple scattering theory to the evaluation of the soft X-ray L 3 emission spectra of nickel and copper is considered. Using only small clusters of scattering sites, the resulting spectra for the crystalline solids are found to be in close agreement with the line shapes derived from band structure calculations. Lorentzian broadening of the calculated one electron spectra to allow for the inner level line width, the finite resolution of the X-ray spectrometer and the various Auger type processes, gives good agreement with the best observed spectra. In its most general form this multiple scattering cluster approach is directly applicable to the corresponding liquid metals and alloys.