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

Autor: Himcinschi, Cameliu, Vrejoiu, Ionela, Weißbach, Torsten, Vijayanandhini, Kannan, Talkenberger, Andreas, Röder, Christian, Bahmann, Silvia, Zahn, Dietrich R. T., Belik, Alexei A., Rafaja, David, Kortus, Jens
Předmět:
Zdroj: Journal of Applied Physics; Oct2011, Vol. 110 Issue 7, p073501, 8p
Abstrakt: 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, &eh;2, 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index