Qualitative aspects of magnetism formation in Gd and its compounds

ORAL

Abstract

Using highly precise full-potential electronic structure calculations, we study the formation of magnetism in gadolinium. By manipulating the 4f-shell magnetic moments in a large supercell, the interplay between on-site and off-site contributions to the spin polarization of valence electrons is analyzed. Qualitative features of exchange coupling are discussed, and the limitations of model RKKY-like approaches are demonstrated. We also analyze the magnetization density distribution in ferromagnetic hcp Gd which, unlike transition- metal ferromagnets, shows a strongly inhomogeneous, directional structure in the interstitial region. The qualitative features revealed in this study are very generic, and we discuss their relevance to other rare-earth elements and their compounds.

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Authors

  • Kirill Belashchenko

    Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Department of Physics and Astronomy, University of Nebraska Lincoln, University of Nebraska-Lincoln

  • Vladimir Antropov

    Condensed Matter Physics, Ames Laboratory, Ames Lab, US-DOE, IBM Almaden Research Center, San Jose CA 95120, Ames Laboratory, Ames IA 50011, Ames Laboratory

  • German Samolyuk

    Department of Chemistry, Iowa State University, Ames, IA, Ames Laboratory