Atomic Migration and Ordering of Binary Ferromagnetic Intermetallic L10 Phases and Influences of Alloying Elements and Electric Fields

The ordered body-centered tetragonal intermetallic (Formula presented.) phase of FeNi is a promising candidate for high-performance permanent magnets without rare-earth elements. However, on earth FeNi is found naturally only in the disordered face-centered-cubic A1 phase. Herein, the atomic migration and ordering processes in binary intermetallic (Formula presented.) phases are investigated within the framework of density-functional theory. The main objectives are 1) to develop a thorough understanding of the thermally activated diffusion processes at the atomic scale and 2) to make a critical assessment in how far electric field and current effects can be effective means for an enhanced hardening-by-ordering of disordered, soft-ferromagnetic alloys. The scope is extended from FeNi to the hard-ferromagnetic (Formula presented.) phases of FePt, FePd, MnAl, and MnGa as well as ternary Fe(Pt,Ni) alloys. These materials cover a wide range of thermal-ordering time scales and related experimental feasibility.