Abstract:
Results of investigations of electronic structure and optical properties of GdFeAl and GdFeSi compounds are presented. Spin-plarized density of states and interband optical conductivity spectra were calculated in frame of DFT+UU technique with a correction for strong correlation effects in 4ff shell of Gd. Optical properties were measured by ellipsometric technique in wavelength interval of 0.22 – 16 μμm. Nature of quantum light absorption is discussed on the base of comparative analysis of experimental and calculated spectra. It is shown that main features of frequency dependencies of the optical conductivity are interpret qualitatively by the calculated density of electronic states.
Keywords:
GdFeAl and GdFeSi compounds, optical properties, electronic structure.
The results of electronic structure calculations were obtained with financial supported from the Russian Science Foundation (project no. 18-72-10098). Experimental data related to the synthesis of compounds and optical measurements were obtained within the framework of the state task of the Ministry of Education and Science of the Russian Federation (topics “Electron”, no. AAA-A18-118020190098-5 and “Magnit”, no. AAA-A18-118020290129-5).
Citation:
Yu. V. Knyazev, A. V. Lukoyanov, Yu. I. Kuz'min, A. G. Kuchin, S. P. Platonov, “Electronic structure and optical spectra of GdFeAl and GdFeSi compounds”, Fizika Tverdogo Tela, 63:6 (2021), 700–705; Phys. Solid State, 63:6 (2021), 866–871