ELECTRONIC STRUCTURE, MAGNETIC AND OPTICAL PROPERTIES OF ErPtSb HALF HEUSLER COMPOUND: USING GGA + U APPROXIMATION.

We study the electronic structure, magnetic and optical properties of rare earth based ErPtSb half Heusler (HH) compound using first-principle density functional theory. Our calculated electronic band structure reveals the half-metallic character of the ErPtSb compound. The total density of states (DOS) and partial density of states (PDOS) of ErPtSb shows that the maximum contributions close to Fermi level (EF) is due to the Er-4f, Pt-5d and admixture of Sb-5p states. Whereas Er-4f unpaired electrons is mainly contributed in total magnetic moments of this compound. Optical response of the ErPtSb HH compound is investigated by optical parameters such as complex dielectric constant ε (ω), extinction coefficient κ (ω), absorption coefficient A (ω), and refractive index η (ω), with the function of photon energy. [ABSTRACT FROM AUTHOR]