On the local magnetic moments at X sites in XFe2 compounds: Pressure effects (X=Y, Lu, Zr, Hf)

Abstract

Adopting a simple model to describe the intermetallic cubic Laves phase compounds XFe2 (X=Y, Lu, Zr, Hf) we discuss the effect of an external applied pressure on the local magnetic moments at both sublattices. We assume that pressure acts on the system, modifying the widths of the sublattice bands and the spin-dependent hybridization between d states of the two sublattices. Using realistic densities of states we obtain, in a self-consistent way, the local d-magnetic moments at X and Fe sites which turn out to be antiparallel. As pressure increases one shows that the magnitude of the local magnetic moment at the X site increases until saturating, whereas the local magnetic moment at the Fe site decreases until saturating. Similarly to the experimental data, which show that the hyperfine field at the X site increases with applied pressure, our theoretical model predicts that the magnetic moment at the X site also increases with pressure. The calculated hyperfine and magnetic moments at the Fe site are also consistent with available experimental data.