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

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.

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