The magnetic structure of a strongly correlated rare-earth based intermetallic system Au₂PrIn._.

The electronic structure of the rare-earth based intermetallic system, Au₂PrIn, is studied using computational methods. The material, a member of a large family of Heusler compounds, was recently discovered, and only crystallographic data was reported. The never reported Lanthanum version (Au₂LaIn) was also studied for the comparability of non-magnetic analogue. Both Au₂LaIn and Au₂PrIn show three-dimensional metallic nature with large band dispersion at Fermi level in electronic structure. Au d-electrons are dominated in the electronic band structure of La system, whereas rare-earth f-electrons are dominated in the electronic structure of Pr system. The study suggests that the magnetism develops as the f-orbital fills up from non-magnetic La-compound to magnetic Pr-compound. The electronic band structure of Pr compound shows local magnetism with f-electron bands near the Fermi level. Calculated magnetic moment is comparable with the expected magnetic moment of Pr. Calculated Curie temperatures are comparable with the stable magnetic structure predicted by spin polarized calculations. Detailed results of electronic and magnetic properties of Pr-system with the predicted magnetic structure will be presented.