J. Phys. IV France 11 (2001) Pr8-53-Pr8-58
The investigation of electronic properties of Ti-based alloysS.E. Kulkova and D.V. Valujsky
Institute of Strength Physics and Materials Science, Siberian Branch of Russian Academy of Sciences, Pr. Akademichesky 2/1, Tomsk 634021, Russia
The self-consistent band structure calculations of the ordered and disordered intermetallic titaniumbased alloys were performed using full-potential linearized augmented plane wave (FLAPW) method and Korringa-Khon-Rostoker -coherent potential approximation (KKR-CPA) The electronic structure of the (001) surfaces are also calculated. The alteration of the electronic properties in the three TiMe series (Me=Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) are discussed in the dependence of a number of valence electrons. The changes of the electronic structure during martensitic transformation, with disordering and alloying are analyzed. The calculated emission, absorption, electron energy loss spectra and optical properties are found to be in good agreement with experiment.
© EDP Sciences 2001