MATERIALS TRANSACTIONS
Online ISSN : 1347-5320
Print ISSN : 1345-9678
ISSN-L : 1345-9678
The Crystal Structure and Magnetic Properties of Fe3Pt Martensite Determined by First Principle Calculations
Yoshiyuki Nakata
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2003 Volume 44 Issue 9 Pages 1706-1708

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Abstract

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.

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© 2003 The Japan Institute of Metals and Materials
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