Abstract
The total and partial densities of states of , and have been calculated using a scalar relativistic self-consistent augmented plane-wave method () or a self-consistent linear muffin-tin orbital method in the atomic sphere approximation ( and ). The x-ray photoemission valence band and soft-x-ray emission Si K and Ni L spectra have been calculated by applying appropriate broadening factors to the theoretical densities-of-states curves; in the case of the x-ray photoemission spectra, photoionization cross sections have been taken into account. Very good agreement is found between the experimental x-ray photoemission and soft-x-ray emission spectra and the simulated spectral curves.
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