Effect of Electronic Correlations on the Electronic Structure, Magnetic and Optical Properties of the Ternary RCuGe Compounds with R = Tb, Dy, Ho, Er

摘要: In this study, the ab initio and experimental results for RCuGe ternary intermetallics were reported R = Tb, Dy, Ho, Er. Our theoretical calculations of electronic structure, employing local spin density approximation accounting electron-electron correlations in 4f shell Er ions carried DFT+U method. The optical properties compounds studied at a broad range wavelengths. spectral characteristics obtained. electron densities states taken to interpret energy dependencies conductivity interband light-absorption region. From band calculations, rare-earth was shown provide major contribution magnetic intermetallics. resulted good agreement between calculated characteristics.