Atomic and Electronic Structures of Metal-Rich Noncentrosymmetric ZrO x

• Published in: JETP letters Vol. 108; no. 4; pp. 226 - 230
• Main Authors: Gritsenko, V A, Perevalov, T V, Volodin, V A, Kruchinin, V N, Gerasimova, A K, Prosvirin, I P
• Format: Journal Article
• Language: English
• Published: New York Springer Nature B.V 01-01-2018
• Subjects: Chemical composition; Chemical synthesis; Computer simulation; Ellipsometry; Ion beam sputtering; Optical properties; Organic chemistry; Parameter estimation; Photoelectrons; Quantum chemistry; Raman spectra; Stoichiometry; Variations; X ray spectra; Zirconium dioxide; Zirconium oxides
• ISSN: 0021-3640; 1090-6487
• DOI: 10.1134/S002136401816004X

The atomic and electronic structures of metal-rich noncentrosymmetric zirconium oxide synthesized by the ion beam sputtering of a metallic target in an oxygen atmosphere has been studied by X-ray photoelectron spectroscopy, Raman scattering, spectral ellipsometry, and quantum-chemical simulation. It has been established that ZrOx < 2 consists of ZrO2, metallic Zr, and zirconium suboxides ZrOy. The stoichiometry parameter of ZrOy has been estimated. It has been shown that the optical properties of ZrOx < 2 are determined by metallic Zr. A model of fluctuation of the width of the band gap and a potential for electrons and holes in ZrOx < 2 based on spatial fluctuations of the chemical composition has been proposed.