Why Ni$_3$Al is an itinerant ferromagnet but Ni$_3$Ga is not

TL;DR

This paper investigates why Ni$_3$Al exhibits itinerant ferromagnetism while Ni$_3$Ga does not, despite similar electronic structures, by analyzing spin fluctuations and susceptibility within a combined theoretical framework.

Contribution

It introduces a combined approach of LDA, Landau theory, and fluctuation-dissipation theorem to explain the differing magnetic behaviors of Ni$_3$Al and Ni$_3$Ga.

Findings

Stronger spin fluctuations in Ni$_3$Ga suppress ferromagnetism.

LDA calculations alone predict Ni$_3$Ga to be magnetic, contrary to experiments.

Critical spin fluctuations are key to understanding the magnetic differences.

Abstract

Ni$_3$Al and Ni$_3$Ga are closely related materials on opposite sides of a ferromagnetic quantum critical point. The Stoner factor of Ni is virtually the same in both compounds and the density of states is larger in Ni$_3$Ga. So, according to the Stoner theory, it should be more magnetic, and, in LDA calculations, it is. However, experimentally, it is a paramagnet, while Ni$_3$Al is an itinerant ferromagnet. We show that the critical spin fluctuations are stronger than in Ni$_3$Ga, due to a weaker q-dependence of the susceptibility, and this effect is strong enough to reverse the trend. The approach combines LDA calculations with the Landau theory and the fluctuation-dissipation theorem using the same momentum cut-off for both materials. The calculations provide evidence for strong, beyond LDA, spin fluctuations associated with the critical point in both materials, but stronger in Ni$_3$Ga than in Ni$_3$Al.