FIRST-PRINCIPLES LCGO CALCULATION OF THE MAGNETOOPTICAL PROPERTIES OFNICKEL AND IRON

We report a first-principles, self-consistent. all-electron, linear co mbination of Gaussian orbitals calculation of a comprehensive collecti on of magneto-optical properties of nickel and iron based on density-f unctional theory. Among the many magneto-optical effects, we have stud ied the equatorial Kerr effect for absorption in the optical as well a s soft-x-ray region, where it is called x-ray magnetic linear dichrois m. In the optical region the effect is of the order of 2% while in the x-ray region it is of the order of 1% for the incident angles conside red. In addition, the polar Kerr effect, x-ray magnetic circular dichr oism, and total x-ray absorption at the L(2.3) edges, and the soft-x-r ay Faraday effect at the L(2.3) edges have also been calculated. Our r esults are in good agreement with experiments and other first-principl es methods that have been used to calculate some of these properties.