Comparison of theoretical and experimental electronic distributions of Si - Ni and Si - Er alloys

作者: A Gheorghiu , C Sénémaud , E Belin-Ferré , Z Dankhàzi , L Magaud-Martinage

DOI: 10.1088/0953-8984/8/6/012

关键词: Scalar (mathematics)X-ray photoelectron spectroscopyEmission spectrumChemistryPhotoionizationAngle-resolved photoemission spectroscopySpectral lineElectronic structureAtomic physicsValence band

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

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