Evolution of Electronic Structure in Titanium Alloys with 3d–5d Transition Metals

Abstract

Based on numerical calculations of the self-consistent band structure of intermetallic titanium compounds with 3d–5d transition metals of group VIII performed by the full-potential linear augmented-plane-wave method, the specific features of the change in the electronic structure are discussed for a series of isoelectronic compounds and for a variable number of valence electrons. The x-ray emission and absorption spectra and the spectra of characteristic electron losses calculated with allowance for the matrix element of transition probabilities are in good agreement with the experiment.