Calculation of soft x-ray emission spectra of aluminium by APW method

In this paper an ab initio calculation of the shapes of emission bandsK andL_{2, 3} of aluminium is described, which is based on the band structure recently determined by the APW method [1]. The expression for the transition probability is derived under the assumption that wave functions of valence electrons are linear combinations of APW functions, whereas wave functions of core electrons are approximated by Bloch sums of atomic functions. A method analogous to that of Gilat and Raubenheimer is used to determine the shapes of spectra. The influence of transition probability and Auger effect are discussed, and the results of calculations are compared with experimental data.