Abstract

The effect of pressure on the electronic structure and magnetic properties of the compounds YNi5, LaNi5, and CeNi5 is studied. Large magnetovolume effects of magnitude dlnχ∕dlnV≃4–7 are found for the magnetic susceptibility χ of these systems at low temperatures. Experimental data and “first principles” calculations of the electronic structure and paramagnetic contributions to the susceptibility indicate that YNi5, LaNi5, and CeNi5 are close to a quantum critical point. It is found that the van Vleck orbital contribution to the magnetic susceptibility is 15–20% in these exchange-enhanced paramagnetic materials and should be taken into account in analyzing experimental data on χ and dlnχ∕dlnV. Calculations of the magnetic-field induced moments for atoms in the unit cell of YNi5 reveal an inhomogeneous distribution of the magnetization density and a nontrivial competition between the spin and orbital moments.

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