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Electronic states structure of Gd5Sb3 and Gd5Ge2Sb compounds according to band calculations and optical spectroscopy
Russian version
DOI: 10.21883/PSS.2022.03.53275.229
Knyazev Yu. V. 1, Lukoyanov A. V. 1,2, Kuz'min Yu. I. 1, Samatham S. S.3, Patel A. K.4,5, Suresh K. G.5
1M.N. Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Russia
2Ural Federal University after the first President of Russia B.N. Yeltsin, Yekaterinburg, Russia
3Department of Physics, Chaitanya Bharathi Institute of Technology, Gandipet, Hyderabad, India
4Department of Materials Science and Engineering, Faculty of Engineering, Tel Aviv University, Ramat Aviv, Tel Aviv, Israel
5Magnetic Materials Laboratory, Department of Physics, Indian Institute of Technology Bombay, Mumbai, Maharashtra, India
Email: knyazev@imp.uran.ru, lukoyanov@imp.uran.ru, yukuzmin@imp.uran.ru, shanmukharao_physics@cbit.ac.in, akhilesh.bhu5@gmail.com, suresh@phy.iitb.ac.in
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Results of investigations of the electronic structure and optical properties of Gd5Sb3 and Gd5Ge2Sb compounds are presented. Calculations of band spectra were carried out in frame of local density approximation with a correction for strong correlation effects in 4f shell of rare-earth ion (DFT + U + SO method). Optical constants of these materials were measured by ellipsometric technique in wide wavelength interval. Energy dependencies of a number of spectral parameters were determined. The nature of quantum light absorption is discussed on the base of comparative analysis of the experimental and calculated spectra of optical conductivity. Keywords: Gd5Sb3, Gd5Ge2Sb compounds, optical properties, electronic structure.
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