First principles calculation of electric and magnetic properties of UIn_3 intermetalic compound

摘要

The electronic and magnetic properties of UIn3 have been calculated in the presence of spin orbit coupling using density functional theory (DFT) by the Wien2k package, and an anti-ferromagnetic ground state structure has been found for this compound. The spin and orbital magnetic moments has been found for this compound. The spin and orbital magnetic moment have been calculated, and it has been shown the orbital magnetic moment is directed opposite to the spin magnetic moment.