Specific features of the electronic structure and spectral properties of NdNi5 - xCux compounds

Abstract

The spectral properties of the intermetallic compounds NdNi5 - xCux (x = 0, 1, 2) have been studied using optical ellipsometry in the wavelength range 0.22-16 μm. It has been established that substitution of copper atoms for nickel leads to noticeable changes in the optical absorption spectra, plasma frequencies, and relaxation frequencies of conduction electrons. Spin-polarized calculations of the electronic structure of these compounds have been performed in the local spin density approximation allowing for strong electron correlations (LSDA + U method) in the 4f shell of the rare-earth ion. The calculated electron densities of states have been used to interpret the experimental dispersion curves of optical conductivity in the interband light absorption region. © 2013 Pleiades Publishing, Ltd.