Changes in electronic structure during phase transformations in TiNi and TiPd

Self-consistent calculations of the band structure of the intermetallic compoundsTiNi andTiPd in two phases were performed by the full-potential linearized augmented-plane-wave method. The results obtained are used to examine the changes in the electronic structure during martensitic transformation and analyze the influence of atomic positions on the electronic structure of theTiNi martensite phase. Insitute of Strength Physics, Siberian Branch of the Russian Academy of Sciences. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 43–51, November 1999.     

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

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.