XMCD analysis beyond standard procedures

H. Wende*, A. Scherz, C. Sorg, K. Baberschke, E. K.U. Gross, H. Appel, K. Burke, J. Minár, H. Ebert, A. L. Ankudinov, J. J. Rehr

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

10 Scopus citations


We show that the standard analysis procedures as sum rule application and multipole-moment analysis for XMCD spectra can fail for magnetic samples of present interest. Two examples will be given: 1) The induced magnetic moments in ultrathin films of the light 3d elements Ti, V and Cr at the interface to Fe cannot be determined by the XMCD sum rule or multipole-moment analysis at the L2,3 edges. This is due to correlation effects which result in the deviation of the intensity ratio (branching ratio) from its statistical value. To address this point we established a double-pole approximation within time-dependent density functional theory. 2) The analysis of the L2,3 XMCD of rare earth elements is not only hampered by the appearance of electric quadrupolar contributions (E2) in addition to the dipolar contributions (E1). Even after separation of the two, one determines the wrong sign of the induced 5d moment by the sum rules. This originates from the spin dependence of the transition matrix elements. To tackle these difficulties we compare the experimental spectra to ab initio calculations of the entire isotropic XAS and the dichroic signal.

Original languageAmerican English
Title of host publicationX-RAY ABSORPTION FINE STRUCTURE - XAFS13
Subtitle of host publication13th International Conference
Number of pages5
StatePublished - 2007
Externally publishedYes
EventX-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference - Stanford, CA, United States
Duration: 9 Jul 200614 Jul 2006

Publication series

NameAIP Conference Proceedings
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616


ConferenceX-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference
Country/TerritoryUnited States
CityStanford, CA


  • Failure sum rule and multipole moment analysis
  • Induced magnetism
  • Light 3d metals and rare earth metals
  • XMCD


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