The electronic structure of clusters containing 15 atoms which represent substitutionally disordered FeTi alloys is obtained with the discrete variational method and the local X approximation to the exchange interaction. Local magnetic moments and isomer shift values are derived, and their variation with local lattice compression calculated. Similar studies are done for ternary bcc -TiZr(Fe) alloys, and existing Mössbauer data interpreted with our theoretical results.
ASJC Scopus subject areas
- Condensed Matter Physics