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- Title
Calculation of the X-Ray emission K and L bands of metallic magnesium and aluminum with allowance for multielectron effects.
- Authors
Ovcharenko, R.; Tupitsyn, I.; Savinov, E.; Voloshina, E.; Dedkov, Yu.; Shulakov, A.
- Abstract
A procedure is proposed to calculate the shape of the characteristic X-ray emission bands of metals with allowance for multielectron effects. The effects of the dynamic screening of a core vacancy by conduction electrons and the Auger effect in the valence band are taken into account. The dynamic screening of a core vacancy, which is known to be called the MND (Mahan-Nozeieres-De Dominics) effect, is taken into account by an ab initio band calculation of crystals using the PAW (projected augmented waves) method. The Auger effect is taken into account by a semiempirical method using the approximation of a quadratic dependence of the level width in the valence band on the difference between the level energy and the Fermi energy. The proposed calculation procedure is used to describe the X-ray emission K and L bands of metallic magnesium and aluminum crystals. The calculated spectra agree well with the experimental bands both near the Fermi level and in the low-energy part of the spectra in all cases.
- Subjects
MAGNESIUM; X-ray emission spectroscopy; ENERGY bands; ALUMINUM; ELECTRONS; NUMERICAL calculations; AUGER effect
- Publication
Journal of Experimental & Theoretical Physics, 2014, Vol 118, Issue 1, p11
- ISSN
1063-7761
- Publication type
Article
- DOI
10.1134/S1063776114010130