The density-of-states functions of the ordered alloys FeAl, CoAl and NiAl and their relation to experimental data; calculations of the imaginary part of the complex dielectric function

On the basis of self-consistent APW bandstructure calculations for the stoichiometric alloys FeAl, CoAl and NiAl, densities of states and partial densities of states for these alloys are calculated using a hybridised NFE-TB interpolation scheme. The calculated density of states of NiAl is compared with its XPS and UPS spectra. Whereas the calculated joint density of occupied and unoccupied states of NiAl agrees rather well with the experimental imaginary part of the complex dielectric function epsilon 2 ( omega ), an approximative calculation of transition moments was necessary to reproduce also the main structure of the epsilon 2 ( omega ) curve of CoAl.