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Calculation of Polarized K and L X‐Ray Emission Spectra and of Partial Densities of States of the H.C.P. Metals Be, Mg, and Zn
Author(s) -
Rennert P.,
Schelle H.,
Gläser U.H.
Publication year - 1984
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221210226
Subject(s) - pseudopotential , anisotropy , spectral line , emission spectrum , atomic physics , chemistry , lattice (music) , physics , condensed matter physics , quantum mechanics , acoustics
Intensities for polarized X‐ray emission spectra are given by the elements of the density matrix expanded with respect to lattice harmonics. These intensities and densities of states for special values of the angular momentum and special representations of the point group are presented for Be, Mg, and Zn starting from a pseudopotential calculation. The energy dependence and the anisotropy of the radial integration is investigated. It is shown that the anisotropic spectra can be described excellently by located densities of states. Non‐diagonal elements of the density matrix give the main contribution to the anisotropy of the L II, III ‐spectrum of magnesium. The spectra are broadened and compared with experimental K‐spectra. A good agreement is achieved, some discrepancy remains concerning the size of the anisotropy.