Abstract
Fe 3 Pd alloys are potentially useful ferromagnetic shape memory materials with a maximum predicted strain of up to 6.8%. Currently, however, there are difficulties with fabrication of the desired fct-ordered martensitic phase. The experimentally observed ground state of Fe3Pd is a nonreversible bct phase, and a rapid quench is required to form the martensitic. This quench freezes substitutional disorder into the crystal, reducing the maximum obtainable strain to about 1%. Thus, discovering how to stabilize an ordered fct phase of Fe3Pd is of paramount importance if this is to become a usable shape memory material. Electronic structure calculations indicate the ordered fct phase can be energetically stabilized by decreasing the c/a ratio below the equilibrium value. This might be achieved by doping with materials containing a lone valence p-electron, such as B or Al. Furthermore, a rigid band analysis suggests that addition of electrons to the system through alloying slightly favors the ordered phase.
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