V. A. Gritsenko, T. V. Perevalov, V. A. Volodin, V. N. Kruchinin, A. K. Gerasimova, I. P. Prosvirin, “Atomic and electronic structures of metal-rich noncentrosymmetric ZrO<nobr>$_x$</nobr>”, Pis'ma v Zh. Èksper. Teoret. Fiz., 2018, Volume 108, Issue 4,Pages <nobr>230

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Atomic and electronic structures of metal-rich noncentrosymmetric ZrO$_x$

V. A. Gritsenko^abc, T. V. Perevalov^bc, V. A. Volodin^bc, V. N. Kruchinin^c, A. K. Gerasimova^c, I. P. Prosvirin^d

^a Novosibirsk State Technical University, Novosibirsk, Russia
^b Novosibirsk State University, Novosibirsk, Russia
^c Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
^d Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

Abstract: 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 ZrO$_{x<2}$ consists of ZrO$_2$, metallic Zr, and zirconium suboxides ZrO$_y$. The stoichiometry parameter of ZrO$_y$ has been estimated. It has been shown that the optical properties of ZrO$_{x<2}$ are determined by metallic Zr. A model of fluctuation of the width of the band gap and a potential for electrons and holes in ZrO$_{x<2}$ based on spatial fluctuations of the chemical composition has been proposed.

Received: 04.06.2018
Revised: 03.07.2018

DOI: 10.1134/S0370274X18160026