First principles investigation of the validity and range of applicability of the x-ray magnetic circular dichroism sum rule

Ruqian Wu*, Dingsheng Wang, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

169 Scopus citations

Abstract

X-ray magnetic circular dichroism (MCD) spectra and orbital angular momentum, Lz, for transition metal bulk and surfaces were studied for both ground state and core hole excitations using a highly precise local density approach. For Fe(001), we predict a double peak structure in both the MCD and total absorption spectra and a strong enhancement of Iz. Surprisingly, the MCD orbital sum rule is found to be valid to within (510)%. Finally, the results suggest possible solutions to several problems faced in applying the MCD sum rule to measure Lz.

Original languageEnglish (US)
Pages (from-to)3581-3584
Number of pages4
JournalPhysical review letters
Volume71
Issue number21
DOIs
StatePublished - 1993

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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