Abstract
In this work we presented optical properties and electronic structure of intermetallic compound. Our estimations are based on density functional theory (DFT) utilizing the Full Potential Linearized Augmented Plane Wave (FPLAPW) method with the inclusion of spin orbit coupling. Local spin density approximation with correlation energy (LSDA+U) was used for exchange-correlation potential. Band structure was estimated through calculation which shows the metallic character of HoFe2 compound. We found that majority spin d states of Ho and Fe mainly contribute to the valence band while Minority spin states Ho-4f, 5d dominate in the conduction band from EF to 4 eV. We again found decent agreement accompanying experiment for the diagonal optical conductivity using LSDA+U approximations. The results are examined considering band to band transitions.
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