First-principles LCGO calculation of the magneto-optical properties of nickel and iron
We report a first-principles, self-consistent, all-electron, linear combination of Gaussian orbitals calculation of a comprehensive collection of magneto-optical properties of nickel and iron based on density-functional theory. Among the many magneto-optical effects, we have studied the equatorial Kerr effect for absorption in the optical as well as soft-x-ray region, where it is called x-ray magnetic linear dichroism. 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 considered. In addition, the polar Kerr effect, x-ray magnetic circular dichroism, and total x-ray absorption at the (Formula presented) edges, and the soft-x-ray Faraday effect at the (Formula presented) edges have also been calculated. Our results are in good agreement with experiments and other first-principles methods that have been used to calculate some of these properties. © 1996 The American Physical Society.
Publication Source (Journal or Book title)
Physical Review B - Condensed Matter and Materials Physics
Mainkar, N., Browne, D., & Callaway, J. (1996). First-principles LCGO calculation of the magneto-optical properties of nickel and iron. Physical Review B - Condensed Matter and Materials Physics, 53 (7), 3692-3701. https://doi.org/10.1103/PhysRevB.53.3692