Abstract
The electronic structures and the magnetism characteristics of Ti2MnZ (Z = Si, Ge, Sn, Sb, Bi) compounds with CuHg2Ti-type structure were systematically investigated. Ti2MnZ (Z = Si, Ge, Sn, Sb, Bi) compounds are predicted to be half-metallic ferrimagnets at their equilibrium lattice parameters. There are three types of half-metallic gaps according to the Z element. Ti2Mn-based compounds have Mt (the total magnetic moment per unit cell) and Zt (the valence concentration) values that do not follow the Mt = Zt − 24 rule but instead follow the Mt = Zt − 18 rule. The Mt = Zt − 18 rule, and the effect of the lattice parameters on the electronic structure and the magnetic properties are discussed in detail.
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