Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys

Details Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys

2002-05-07

arxiv.org/abs/cond-mat/0205129v2

Physical Review B 66, 174429 (2002)

Physics

Condensed Matter

10 pages, 8 figures, revised figure 3, new text added

Scientific paper

10.1103/PhysRevB.66.174429

Using the full-potential screened Korringa-Kohn-Rostoker method we study the full-Heusler alloys based on Co, Fe, Rh and Ru. We show that many of these compounds show a half-metallic behavior, however in contrast to the half-Heusler alloys the energy gap in the minority band is extremely small. These full-Heusler compounds show a Slater-Pauling behavior and the total spin-magnetic moment per unit cell (M_t) scales with the total number of valence electrons (Z_t) following the rule: M_t=Z_t-24. We explain why the spin-down band contains exactly 12 electrons using arguments based on the group theory and show that this rule holds also for compounds with less than 24 valence electrons. Finally we discuss the deviations from this rule and the differences compared to the half-Heusler alloys.

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