Electronic structure and x-ray magnetic circular dichroism in uranium compounds.: II.: UTAl (T=Co, Rh, and Pt) intermetallics -: art. no. 214425

The electronic structure and x-ray magnetic circular dichroism (XMCD) spectra of UCoAl, URhAl, and UPtAl were investigated theoretically from first principles, using the fully relativistic Dirac LMTO band-structure method. The electronic structure is obtained with the local spin-density approximation (LSDA) as well as with a generalization of the LSDA+U method which takes into account the nondiagonal (in spin indexes) occupation matrix of localized electrons. The origin of the XMCD spectra in the compounds is examined.