Electron Core-Hole Interaction in the X-Ray Absorption Spectroscopy of 3d Transition Metals

J. Schwitalla and H. Ebert
Phys. Rev. Lett. 80, 4586 – Published 18 May 1998
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Abstract

A fully relativistic scheme is presented that allows one to deal with the electronic band structure of a solid and the influence of the electron core-hole interaction on its x-ray absorption spectra on the same level. This is achieved in a parameter-free way by working throughout in the framework of the time-dependent density functional theory and linear response formalism. Application to the L2,3-absorption spectra of 3d transition metals demonstrates that the electron core-hole interaction intermixes the L2 and L3 partial spectra, strongly affecting the so-called branching ratio. The consequences of this for the magnetic circular x-ray dichroism sum rules are discussed.

  • Received 1 December 1997

DOI:https://doi.org/10.1103/PhysRevLett.80.4586

©1998 American Physical Society

Authors & Affiliations

J. Schwitalla and H. Ebert

  • Institut für Physikalische Chemie, Universität München, Theresienstraße 37, D-80333 München, Germany

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Vol. 80, Iss. 20 — 18 May 1998

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