The influence of the structure-dependent electronic effects on the magnetic, magneto-optical (MO), and anisotropic properties of equiatomic CoPt alloy was modeled with the use of fully relativistic linear-muffin-tin-orbital calculations. We found large differences between the MO spectra of the alloy of the AuCu (L1(1)) and CuPt (L1(0)) superlattice type structures, as well as a strong sensitivity of the spectra on the degree of chemical order. Very good agreement between the experimental and theoretical spectra for both a partially ordered and a fully disordered alloy, modeled by a Monte Carlo simulation, is found, demonstrating the applicability of the theoretical approach. (C) 2002 American Institute of Physics

The optical and magneto-optical (MO) spectra of the ternary compound UCuP 2 are investigated from first principles, using the fully relativistic Dirac linear-muffin-tin-orbital band structure method and density-functional theory in the local spin-density approximation. Within a band-like description of the 5f electrons, good agreement with the measured MO spectra is obtained. The origin of the Kerr rotation in the compound is examined.

The optical and magneto-optical (MO) spectra of the ternary compound UCuAs 2 are investigated theoretically from first principles, using the fully relativistic Dirac linear-muffin-tin-orbital band structure method. The electronic structure is obtained with the local spin-density approximation (LSDA), as well as with the so-called LSDA+U approach. Better agreement between the theoretically calculated and the experimentally measured MO Kerr spectra is found with the LSDA+U approximation. The origin of the Kerr rotation in the compound is examined.