Fizika Nizkikh Temperatur: Volume 44, Number 2 (February 2018), p. 208-213 ( to contents , go back )
Electronic structure and optical properties of the GdNi2Mnx compounds
Yu.V. Knyazev1, A.V. Lukoyanov1,2, Yu.I. Kuz’min1, and V.S. Gaviko1
1M.N. Mikheev Institute of Metal Physics, UB RAS, Ekaterinburg 620990, Russia
2B.N. Yeltsin Ural Federal University, 19 Mira Str., Ekaterinburg 620002, Russia
Received June 7, 2018, revised August 4, 2017
The electronic structure and optical properties of the GdNi2Mnx compounds (x = 0, 0.4, 0.6) have been investigated. The spin-polarized electronic structure calculations were performed in the approximation of local electron spin density with a correction for strong electronic correlations in the LSDA+U method. The changes in the magnetic moments and exchange inter-actions in GdNi2Mnx (x = 0, 0.4, 0.6), which determine the increase in the Curie temperature with variation in the manganese concentration, were determined. The optical constants of the compounds were measured by the ellipsometric method in the wide spectral range 0.22–15 μm. The features of the modification of the frequency dependencies of optical conductivity with a change in the manganese concentration are re-vealed. Based on the calculated densities of the electronic states, the behavior of these dispersion curves in the region of interband absorption of light is discussed. The concentration dependencies of a number of the electronic characteristics are determined.
PACS: 81.05.Bx Metals, semimetals, and alloys;
Key words: electronic structure, spin density, interband absorption of light.
Published online: December 26, 2017