Valence electron rules for prediction of half-metallic compensated-ferrimagnetic behaviour of Heusler compounds with complete spin polarization

In this work, a rule for predicting half-metallic compensated-ferrimagnets in the class of Heusler compounds will be described. This concept results from combining the well-known Slater–Pauling rule with the Kübler rule. The Kübler rule states that Mn on the Y position in Heusler compounds tends to a highly localized magnetic moment. When strictly following this new rule, some candidates in the class of Heusler compounds are expected to be completely compensated-ferrimagnetic but with a spin polarization of 100% at the Fermi energy. This rule is applied to three examples within the class of Heusler compounds. All discussion of the materials is supported by electronic structure calculations.