Electronic and magnetic properties of the uranium and plutonium dipnictides

First-principles electronic structure calculations have been performed for uranium and plutonium dipnictides based on density functional theory. The magnetism in these compounds is investigated first with spin-polarization only and then also with an orbital-polarization correction. It is found that the inclusion of the orbital-polarization correction improves the comparison between theory and experiment. The Fermi surface topology and the determination of extremal orbitals are also presented.