Magnetic properties of PrRhIn5-Experimental study and ab initio calculations

The magnetization (magnetic susceptibility), specific heat and electrical resistivity of a PrRhIn5 single crystal were studied. Van Vleck-type paramagnetic behavior and strong magnetocrystalline anisotropy were observed, which is attributed to a strong crystal-field effect on the Pr3+ ion. A crystal-field effect on the electrical resistivity was observed as well. We focused on the measurement of the specific heat down to low temperatures (down to 0.4 K) in different magnetic fields. Indications of a field-induced transition to the quadrupolar ordered state below 0.4 K were found in the specific-heat data in magnetic fields. First-principles calculations based on density functional theory of the electronic structure and crystal-field interaction were performed in order to better understand the experimental findings. (C) 2008 Elsevier B.V. All rights reserved.