Raman spectra and dielectric function of BiCrO3: Experimental and first-principles studies

Abstract

We present the complex dielectric function of BiCrO3 thin films in the energy range of 0.73–9.8 eV determined using spectroscopic ellipsometry. By analyzing the absorption onset region, it is shown that the optical bandgap of BiCrO3 is indirect, with a value of 2.27 eV. The imaginary part of the BiCrO3 dielectric function, ɛ2, calculated using density functional theory in the generalized gradient approximation with an Hubbard potential of 3 eV agrees well with the experimentally determined one. Raman spectra of both polycrystalline and epitaxial thin films of BiCrO3 are reported. The temperature dependent Raman measurements indicate a structural phase transition at ∼400 K which was confirmed also by x-ray diffraction investigations.