Noncollinear magnetism and Jahn–Teller effect in the U2T2In series

Abstract The compounds of the U2T2In series, with T=Pt, Pd, Ni have similar crystallographic structures and electronic configurations but different magnetic structures. With DFT band structure calculations we were able to predict the correct ground state structure. Calculated moments are in good agreement with previous neutron diffraction data, comparison of the three compounds allows a better understanding of the origin of the different properties of the compounds: magnetic ordering for U2Ni2In and U2Pd2In and Jahn–Teller effect for U2Pt2In.