Spin-polarization and electronic properties of half-metallic Heusler alloys calculated from first-principles

Abstract

Half-metallic Heusler alloys are amongst the most promising materials for future magnetoelectronic applications. We review some recent results on the electronic properties of these compounds. The origin of the gap in these half-metallic alloys and its connection to the magnetic properties are well understood. Changing the lattice parameter shifts slightly the Fermi level. Spin-orbit coupling induces states within the gap but the alloys keep a very high degree of spin-polarization at the Fermi level. Small degrees of doping and disorder as well as defects with low formation energy have little effect on the properties of the gap, while temperature effects can lead to a quick loss of half-metallicity. Finally we discuss two special issues; the case of quaternary Heusler alloys and the half-metallic ferrimagnets.

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• Half-metallic ferromagnets: From band structure to many-body effects
• Interface-Induced Phenomena in Magnetism
• Role of the conduction electrons in mediating exchange interactions in Heusler alloys
• Half-Heusler Compounds: Promising Materials For Mid-To-High Temperature Thermoelectric Conversion
• Direct evidence for minority spin gap in the Co2MnSi Heusler alloy
• Temperature-dependent Gilbert damping of Co2FeAl thin films with different degree of atomic order
• Electronic structure of Zr-Ni-Sn systems: role of clustering and nanostructures in Half-Heusler and Heusler limits
• Nonzero macroscopic magnetization in half-metallic antiferromagnets at finite temperatures
• Ab-initio insights into the elastic, bonding, phonon, optoelectronic and thermophysical properties of SnTaS2
• Engineering the electronic, magnetic and gap-related properties of the quinternary half-metallic Heusler alloys
• Magnetism of mixed quaternary Heusler alloys: (Ni,T)${}_2$MnSn (T=Cu,Pd) as a case study
• Antiferromagnetism in Ru2MnZ (Z=Sn, Sb, Ge, Si) full Heusler alloys: effects of magnetic frustration and chemical disorder
• Ab-initio determined electronic and magnetic properties of half-metallic NiCrSi and NiMnSi Heusler alloys; the role of interfaces and defects
• Ferrimagnetism and antiferromagnetism in half-metallic Heusler alloys
• Magnetocaloric properties and critical behavior of Co${}_2$Cr${}_{1-x}$Mn${}_x$Al Heusler alloys
• Competition of L21 and XA Ordering in Fe2CoAl Heusler Alloy: A First-Principles Study
• Ultrafast magnetization dynamics in half-metallic Co${}_2$FeAl Heusler alloy
• Boosting Material Modeling Using Game Tree Search
• First-principles investigation of competing magnetic interactions in (Mn,Fe)Ru${}_2$Sn Heusler solid solutions
• Ferromagnetic Cr4PtGa17: A Novel Half-Heusler-Type Compound with a Breathing Pyrochlore Lattice
• Role of defects and disorder in the half-metallic full-Heusler compounds