The Electronic Structure and Optical Spectroscopy of ErNi2Mnx Compounds

Abstract

The electronic structure and optical properties of nonstoichiometric ErNi2Mnx compounds (with х = 0, 0.5, 1) have been studied. Spin-polarization calculations of the total and partial densities of electron states have been performed in terms of DFT + U method with a correction for strong electronic correlations in the 4f shell of Er in the approximation of ErNi2 – xMnx solid-solution. The peculiarities of transformations of the densities of electron states Have been determined depending on the manganese content. The optical properties of these compounds have been studied over a wide wave length range. The calculated interband optical conductivity spectra have been compared with the dependences obtained experimentally. The origin of the quantum absorption of light is discussed. The plasma and relaxation frequencies of current carriers have been determined.