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

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 0.22-15 mu m. On top of that, charge-carrier parameters (plasma frequency Omega and relaxation frequency gamma) and optical conductivity sigma(omega) were determined. Self-consistent spin-resolved band-structure calculations within the conventional LSDA+U method were performed. Theoretical interpretation of the experimental sigma(omega) 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.