Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn2TiZ Heusler compounds

Abstract

The Heusler compounds Mn${}_2$TiZ (Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb) are of large interest due to their potential ferrimagnetic properties and high spin polarization. Here, we present calculations of the structural and magnetic properties of these materials. Their magnetic moment follows the Slater-Pauling rule $m=N_V-24$. None of them is actually a perfect half-metallic ferrimagnet, but some exhibit more than 90% spin polarization and Curie temperatures well above room temperature. The exchange interactions are complex, direct and indirect exchange contributions are identified. The Curie temperature scales with the total magnetic moment, and it has a positive pressure dependence. The role of the Z element is investigated: it influences the properties of the compounds mainly via its valence electron number and its atomic radius, which determines the lattice parameter. Based on these results, Mn${}_2$TiSi, Mn${}_2$TiGe, and Mn${}_2$TiSn are proposed as candidates for spintronic applications.

13 pages, 6 figures

References in corpus (3)

• Role of the conduction electrons in mediating exchange interactions in Heusler alloys
• Half-metallic diluted antiferromagnetic semiconductors
• Defects in CrAs and related compounds: a route to half-metallic ferrimagnetism

Cited by in corpus (5)

• Guidelines for understanding cubic manganese-rich Heusler compounds
• Exchange interactions and Curie temperatures in Mn2CoZ compounds
• Ferrimagnetism and disorder in epitaxial Mn(2-x)Co(x)VAl thin films
• Editorial Comment on the Special Issue of "Information in Dynamical Systems and Complex Systems"
• Understanding the origin of the magneto-caloric effects in substitutional Ni-Mn-Sb-Z (Z=Fe, Co, Cu) compounds: insights from first-principles calculations