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RELATIVISTIC SPIN-POLARIZED ELECTRONIC-STRUCTURE CALCULATIONS FOR RANDOM SUBSTITUTIONAL ALLOYS

Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Publication Date
Keywords
  • Qc Physics

Abstract

A relativistic spin-polarized version of the KKR-CPA for calculating the electronic structure of random substitutional alloys is discussed and an efficient method for implementing it is described. The theory is illustrated with a calculation of the electronic structure and magnetic. circular dichroism in Fe0.8C0.2.

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