Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2 Full article
Journal |
Journal of Experimental and Theoretical Physics Letters (JETP Letters)
ISSN: 0021-3640 , E-ISSN: 1090-6487 |
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Output data | Year: 2018, Volume: 107, Number: 1, Pages: 55-60 Pages count : 6 DOI: 10.1134/S0021364018010071 | ||||||||
Tags | THIN-FILMS; ZRO2; OXIDE; POLYVACANCIES; HFO2; XPS | ||||||||
Authors |
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Affiliations |
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Funding (1)
1 | Russian Science Foundation | 14-19-00192 |
Abstract:
The electronic structure of stoichiometric and oxygen-depleted Hf0.5Zr0.5O2 in the orthorhombic noncentrosymmetric phase has been studied by X-ray photoelectron spectroscopy and quantum-chemical simulation based on the density functional theory. It has been established that the ion-etching-induced peak in the photoelectron emission spectrum with the energy above the top of the o-Hf0.5Zr0.5O2 valence band is due to oxygen vacancies. A method of estimating the density of oxygen vacancies from the comparison of the experimental and theoretical photoelectron spectra of the valence band has been proposed. It has been established that oxygen polyvacancies in o-Hf0.5Zr0.5O2 are not formed: the energetically favorable spatial arrangement of oxygen vacancies in a crystal corresponds to noninteracting oxygen vacancies distant from each other.
Cite:
Perevalov T.V.
, Gritsenko V.A.
, Islamov D.R.
, Prosvirin I.P.
Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2
Journal of Experimental and Theoretical Physics Letters (JETP Letters). 2018. V.107. N1. P.55-60. DOI: 10.1134/S0021364018010071 WOS Scopus РИНЦ
Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2
Journal of Experimental and Theoretical Physics Letters (JETP Letters). 2018. V.107. N1. P.55-60. DOI: 10.1134/S0021364018010071 WOS Scopus РИНЦ
Original:
Перевалов Т.В.
, Гриценко В.А.
, Исламов Д.Р.
, Просвирин И.П.
Электронная структура вакансий кислорода в орторомбической нецентросимметричной фазе Hf0.5Zr0.5O2
Письма в Журнал экспериментальной и теоретической физики. 2018. Т.107. №1. С.62-67. DOI: 10.7868/S0370274X18010113 РИНЦ
Электронная структура вакансий кислорода в орторомбической нецентросимметричной фазе Hf0.5Zr0.5O2
Письма в Журнал экспериментальной и теоретической физики. 2018. Т.107. №1. С.62-67. DOI: 10.7868/S0370274X18010113 РИНЦ
Dates:
Submitted: | Nov 21, 2017 |
Published print: | Jan 1, 2018 |
Published online: | Mar 12, 2018 |
Identifiers:
Web of science | WOS:000427409000011 |
Scopus | 2-s2.0-85044006723 |
Elibrary | 35482071 |
Chemical Abstracts | 2018:435991 |
OpenAlex | W2792041473 |