Changes in the electronic structure upon the B2-B19 ' martensitic transformation in titanium-nickel

The self-consistent band structure of a TiNi intermetallic compound in two phases is calculated by the full-potential linearized augmented-plane-wave (FLAPW) method. The features of changes in the density of states upon B2-B1 9' martensitic transformation are discussed. The influence of atomic positi ons on the electronic structure of the martensitic monoclinic phase is exam ined. The frequency dependence of the optical conductivity and the emission , absorption, and the characteristic electron-energy-loss spectra are calcu lated with due regard for the transition probability matrix element. The re sults of calculations are in reasonable agreement with the available experi mental data. (C) 2001 MAIK "Nauka/Interperiodica".