Robust fully-compensated ferrimagnetism and semiconductivity in inverse Heusler compounds: Ti2VZ (Z = P, As, Sb, Bi)
Compensated ferrimagnets, due to their zero net magnetization and potential for large spin-polarization, have been attracting more and more attention in the field of spintronics. We demonstrate potential candidate materials among the inverse Heusler compounds Ti 2 VZ (Z = P, As, Sb, Bi) by first principles calculations. It is found that these compounds with 18 valence electrons per unit cell have zero net magnetic moment with compensated sublattice m agnetization, as anticipated by a variant of Slater-Pauling rule of M t = N V − 18, where M t is the total spin magnetic moment per formula unit and N V is the number of valence electrons per formula unit, and show semiconducting behavior in both spin channels with a moderate exchange splitting, as with ordinary ferromagnetic semiconductors. Furthermore, the fully compensated ferrimagnetism and semiconductivity are rather robust over a wide range of lattice contraction and expansion. Due to the above distinct advantages, these compounds will be promising candidates for spintronic applications.