Electronic structure of amorphous transition-metal alloys

Abstract

In order to understand the electronic structure of transition-metal glasses the electronic density of states of corresponding ordered close-packed compounds have been calculated using the self-consistent augmented-spherical-wave method. Comparison of our band calculations and photoemission spectra of various glassy alloys suggest that the essential features of the electronic structure are very similar in glassy alloys and corresponding ordered close-packed alloys. In addition, core-level energy shifts are calculated and compared with experimental results. We explain the observed changes in the core-level line-shape asymmetries. Finally, we discuss the dependence of the thermal stability of transition-metal glasses on the number of $d$ electrons and heats of formation.