Export citation

Export citation

Choose format for download:

Download Citation

    Relativistic tight-binding calculations of x-ray absorption and magnetic circular dichroism at the L2 and L3 edges of nickel and iron

    N. V. Smith, C. T. Chen, F. Sette, and L. F. Mattheiss

    • AT&T Bell Laboratories, Murray Hill, New Jersey 07974

    Phys. Rev. B 46, 1023 – Published 1 July, 1992

    DOI: https://doi.org/10.1103/PhysRevB.46.1023

    Abstract

    The soft-x-ray absorption and magnetic circular dichroism (MCD) cross sections at the L2 and L3 core-level edges of Ni and Fe have been calculated using a one-electron tight-binding band-structure approach. The tight-binding scheme is taken from the work of Papaconstantopoulos, supplemented with the inclusion of spin-orbit coupling in the d bands and fully relativistic dipole selection rules. In Ni, a fit to the various L2 and L3 intensity ratios can be achieved, but only with values of the d-band spin-orbit parameter ξ and exchange parameter Δex at variance with the ground-state band-structure values. For Fe, there is no plausible value of ξ capable of explaining the intensity ratios; also, the predicted substructure within the L2 and L3 white lines is not seen in experiment. These failures of the one-electron approach are qualitatively consistent with expected many-body electronic rearrangements associated with core-hole creation. Some discussion is offered on sum rules and on orbital versus spin magnetic moments.

    Authorization Required

    We need you to provide your credentials before accessing this content.

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation