Electronic structure and weak itinerant magnetism in metallic Y2Ni7

Abstract

We report a density functional study of the electronic structure and magnetism of Y2Ni7. The results show itinerant magnetism very similar to that in the weak itinerant ferromagnet Ni3Al. The electropositive Y atoms in Y2Ni7 serves to donate charge to the Ni host mostly in the form of $s$ electrons. The non-spin-polarized state shows a high density of states at the Fermi level, N(EF) due to flat bands. This leads to the ferromagnetic instability. However, there are also several much more dispersive bands crossing E(F), which should promote the conductivity. Spin fluctuation effects appear to be comparable to or weaker than Ni3Al, based on comparison with experimental data. Y2Ni7 provides a uniaxial analogue to cubic Ni3Al for studying weak itinerant ferromagnetism, suggesting detailed measurements of its low temperature physical properties and spin fluctuations, as well experiments under pressure.