X-ray magnetic circular dichroism at rare-earth L2,3 absorption edges in various Ce and Gd compounds and alloys

The X-ray magnetic circular dichroism spectra at the rare-earth L-2,L-3 absorption edges in CeFe2, Ce(CoxFe1-x)(2), CeRh3B2, GdN, GdTiGe, and GdTiSi are 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 the LSDA+U method. The origin of the L-2,L-3 XMCD spectra in the compounds is examined. The core-hole effect in the final states as well as the effect of the electric quadrupole E-2 and magnetic dipole M-1 transitions have been investigated. The calculated results are compared with available experimental data. (C) 2010 Elsevier B.V. All rights reserved.