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

Abstract

The X-ray magnetic circular dichroism spectra at the rare-earth L 2,3 absorption edges in CeFe 2, Ce(Co x Fe 1− x ) 2, CeRh 3B 2, 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 2,3 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.