Electronic structure, magnetic, and optical properties of the intermetallic compounds R2Fe17 (R=Pr,Gd)

Yu. V. Knyazev, A. V. Lukoyanov, Yu. I. Kuz’min, A. G. Kuchin, and I. A. Nekrasov
Phys. Rev. B 73, 094410 – Published 13 March 2006

Abstract

In this paper we report comprehensive experimental and theoretical investigation of magnetic and electronic properties of the intermetallic compounds Pr2Fe17 and Gd2Fe17. Electronic structure of these two systems was probed by optical measurements in the spectral range of 0.2215μm. On top of that, charge-carrier parameters (plasma frequency Ω and relaxation frequency γ) and optical conductivity σ(ω) were determined. Self-consistent spin-resolved band-structure calculations within the conventional LSDA+U method were performed. Theoretical interpretation of the experimental σ(ω) dispersions indicates transitions between 3d and 4p states of Fe ions to be the biggest ones. Qualitatively the line shape of the theoretical optical conductivity coincides well with our experimental data. Calculated by the LSDA+U method magnetic moments per formula unit are found to be in good agreement with observed experimental values of saturation magnetization.

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  • Received 20 October 2005

DOI:https://doi.org/10.1103/PhysRevB.73.094410

©2006 American Physical Society

Authors & Affiliations

Yu. V. Knyazev1, A. V. Lukoyanov1,2, Yu. I. Kuz’min1, A. G. Kuchin1, and I. A. Nekrasov1,3

  • 1Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620041 Yekaterinburg GSP-170, Russia
  • 2Ural State Technical University-UPI, 620002 Yekaterinburg, Russia
  • 3Institute of Electrophysics, Russian Academy of Sciences-Ural Division, 620046 Yekaterinburg, Russia

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Issue

Vol. 73, Iss. 9 — 1 March 2006

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