Electronic structures and magnetic and optical properties of Co-Al alloys

The electronic structures, the magnetic moments and the optical conductivit y spectra of the Co1-xAlx (x=0.5, 0.4375, and 0.375) alloys were calculated using the tight-binding linearized-muffin-tin-orbital method. The supercel l method was employed to calculate the properties of the alloys with the of f-stoichiometric concentrations. The calculated magnetic moments were in re asonable agreement with the experimental results. The inclusion of correcti ons for both the real and the imaginary parts of the self-energy markedly i mproved the agreement between the experimental and calculated the optical c onductivity spectra.