Microscopic and macroscopic dielectric description of mixed oxide thin films

Abstract

Compact Si–Ti–O and Si–Zr–O mixed oxide thin films are studied by optical characterization (refractive index, band gap energy) and local probes (Auger parameter obtained by x-ray photoelectron spectroscopy). Interpretation of the obtained results is discussed in the framework of the classical dielectric theory that correlates the macroscopic refractive index to the microscopic electronic polarizability of each particular ion in the compound through the Lorentz-Lorenz relationship. Quantum mechanical cluster calculations have also been performed to support the correlations obtained between the experimental findings.