Amiotti M., Guizzetti G., Marabelli F., Piaggi A., Antonov V. N., Antonov VI. N., Jepsen O., Andersen O. K., Borghesi A., Nava F., Nemoshkalenko V. V., Madar R., Rouault A.

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.

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