OPTICAL CHARACTERIZATION OF RU2SI3 BY SPECTROSCOPIC ELLIPSOMETRY, UV-VIS-NIR SPECTROSCOPY AND BAND-STRUCTURE CALCULATIONS

The first results of optical interband investigations are reported for semiconducting Ru2Si3 from the near infrared up to 5 eV and compared with those of a Ru metal. The single-phase Ru2Si3 layers were prepared by metal deposition onto silicon substrates and annealing in forming gas atmosphere. The optical spectra have been obtained by ellipsometry and reflectivity measurements. From the optical investigations, the r eal and imaginary parts of the dielectric function as well as the abso rption coefficient and the refractive index have been derived. The Ru spectra show typical metallic behaviour, i.e. a Drude-like shape in th e IR and interband features at higher energy. The spectra for Ru2Si3 e xhibit semiconducting character with dominant interband features appro ximately at 2 and 5 eV and a relative minimum in the joint density of interband states at 3.5 eV. These spectra are compared with theoretica l calculations of the optical properties which have been carried out u sing the LMTO-ASA method. Excellent agreement has been found between t heory and experiment for the spectral variation in the optical constan ts. (C) 1998 Elsevier Science S.A.