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

TL;DR

This study combines experimental optical measurements and theoretical calculations to analyze the electronic, magnetic, and optical properties of intermetallic compounds Pr2Fe17 and Gd2Fe17, revealing detailed insights into their electronic structure and magnetic moments.

Contribution

It provides the first optical spectral analysis of Pr2Fe17 and Gd2Fe17 and applies LSDA+U calculations to interpret their electronic and magnetic properties.

Findings

Optical spectra reveal charge carrier parameters and optical conductivity.

Theoretical calculations match experimental magnetic moments and optical features.

Transitions between Fe 3d and 4p states dominate optical responses.

Abstract

In this paper we report comprehensive experimental and theoretical investigation of magnetic and electronic properties of the intermetallic compounds Pr2Fe17 and Gd2Fe17. For the first time electronic structure of these two systems was probed by optical measurements in the spectral range of 0.22-15 micrometers. On top of that charge carriers parameters (plasma frequency and relaxation frequency) and optical conductivity s(w) were determined. Self-consistent spin-resolved bandstructure calculations within the conventional LSDA+U method were performed. Theoretical interpetation of the experimental s(w) 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 LSDA+U method magnetic moments per formula unit are found to be in good agreement with observed experimental values of saturation magnetization.