Univ Pavia Dipartimento Fis A Volta Via Bassi 6 I-27100 Pavia Italy
Univ Modena Dipartimento Fis I-41100 Modena Italy
Max Planck Inst Festkorperforsch W-7000 Stuttgart 80 Germany
Acad Sci Ukssr Inst Met Phys Kiev 252142 Ukraine Ussr
Ecole Natl Super Phys Grenoble Mat & Genie Phys Lab F-38402 St Martin Dheres France

Near-normal reflectivity measurements with polarized light have been performed on good quality single crystals of Pd2Si in the spectral range from 0.05 to 4 eV. Moreover, spectral ellipsometry from 1.4 to 5 eV and nonpolarized reflectivity from 3 to 12 eV have been used in order to Kramers-Kronig analyze the data and to obtain the dielectric functions. The results show strong anisotropy in the optical response for the polarization along the crystallographic c axis, or in the basal plane, of the hexagonal cell, according to the transport measurements. The optical properties of Pd2Si have been calculated within the local-density approximation using the semirelativistic linear-muffin-tin-orbital method. The band structure, the l-projected densities of states, the complex dielectric function, the optical conductivity, the optical reflectivity, and the electron-energy-loss spectrum have been obtained in the energy range from 0 to 5 eV. The agreement with the experimental data is rather good.
 

Physical Review B, 45 13285-13292, 1992.