2003 Volume 44 Issue 9 Pages 1706-1708
The crystal structure and some magnetic properties of Fe3Pt martensite are investigated by first principle calculations. The crystal structure is optimized in such a way that the atom positions are changed according to the force acting on the nuclei. The positions are repeatedly changed until the forces are all less than 0.257 eV/nm. The final structure obtained is the same as expected from simple Bain distortion of austenite with L12 ordered structure. The magnetic moments of two kinds of Fe atoms in this structure are 2.6 and 2.8 Bohr magneton, and that of a Pt atom is 0.45. The magnetic moments of Fe atoms in Fe3Pt martensite are considerably larger than those in bcc Fe.
