Optical Characterization of Ru_2Si_3 and Ru_2Ge_3 by Various Spectroscopic Methods and by Band Structure Calculations

摘要

The first results of optical interband investigations are reported for semiconducting Ru_2Si_3 and Ru_2Ge_3 from the near infrared up to 10 eV and compared with those of Ru metal. The single-phase Ru_2Si_3 and Ru_2Ge_3 layers were prepared by metal deposition onto silicon or germanium substrates, respectively, and annealing in forming gas atmosphere. The optical spectra have been obtained by ellipsometry and reflectivity measurements. From the optical investigations, the real and imaginary parts of the dielectric function as well as the absorption coefficient and the refractive index have been derived. The Ru spectra show typical metallic behaviour, i.e. a Drude-like shape in the IR and interband features at higher energy. The spectra for Ru_2Si_3 and Ru_2Ge_3 exhibit semiconducting character with dominant interband features around 2 and 5 eV and a relative minimum in the joint density of interband states at 3.5 and 8 eV. These spectra are compared with theoretical calculations of the optical properties which have been carried out using the LMTO-ASA method. Excellent agreement has been found between theory and experiment for the main spectral variation in the optical constants.