High TC half-metallic fully-compensated ferrimagnetic Heusler compounds

Extensive ab-initio electronic structure calculations on Heusler alloys suggest that Cr2CoGa is the alloy of choice to achieve the half-metallic fully-compensated ferrimagnetism since (1) it has been already grown experimentally [T. Graf et al., Z. Anorg. Allg. Chem. 635, 976 (2009)], (2) half-metallic XA structure is favored energetically over all the studied lattice constant range with respect to the L21 which is not half-metallic, (3) the half-metallic gap is wide and the Fermi level falls at the middle of the gap and thus, it presents high degree of spin-polarization for a wide range of lattice constants, and (4) the Curie temperature is extremely high reaching the 1520 K.