Low Temperature Physics: 41, 1024 (2015); https://doi.org/10.1063/1.4935696
Физика Низких Температур: Том 41, Выпуск 12 (Декабрь 2015), c. 1313-1317 ( к оглавлению , назад )
Copper-doping effects in electronic structure and spectral properties of SmNi5
Yu.V. Knyazev1, A.V. Lukoyanov1, 2, Yu.I. Kuz’min1, and A.G. Kuchin1
1Institute of Metal Physic UD of RAS, S. Kovalevskoy, 18, Ekaterinburg 620990, Russia
2Ural Federal University, Mira, 19, Ekaterinburg 620002, Russia
Received May 14, 2015
The electronic structure and optical properties of the SmNi5–xCux (x = 0, 1, 2) compounds are studied. The band spectra of the studied intermetallics were calculated with LDA+U+SO method supplementing the local density approximation with a correction for strong electron interaction on the shell of the rare-earth element. Optical properties were studied by ellipsometry method in the wide wavelength range. It was found that the substitution of copper for nickel leads to local changes in the optical conductivity spectra. Both the spectroscopic measurements and theoretical calculations demonstrate the presence of a broad absorption band around 4 eV associated with the Cu 3d → Ni 3d electron transitions and increasing with the grown of copper content. The experimental dispersion curves of optical conductivity in the interband absorption region were interpreted using the results of the calculations.
PACS: 71.20.–b Electron density of states and band structure of crystalline solids;
Key words: rare-earth compounds; intermetallics, optical properties; electronic structure.
Published online: October 23, 2015