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Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2. / Perevalov, T. V.; Gritsenko, V. A.; Islamov, D. R. et al.

In: JETP Letters, Vol. 107, No. 1, 01.01.2018, p. 55-60.

Research output: Contribution to journal › Article › peer-review

Harvard

Perevalov, TV, Gritsenko, VA, Islamov, DR & Prosvirin, IP 2018, 'Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2', JETP Letters, vol. 107, no. 1, pp. 55-60. https://doi.org/10.1134/S0021364018010071

APA

Perevalov, T. V., Gritsenko, V. A., Islamov, D. R., & Prosvirin, I. P. (2018). Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2. JETP Letters, 107(1), 55-60. https://doi.org/10.1134/S0021364018010071

Vancouver

Perevalov TV, Gritsenko VA, Islamov DR, Prosvirin IP. Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2. JETP Letters. 2018 Jan 1;107(1):55-60. doi: 10.1134/S0021364018010071

Author

Perevalov, T. V. ; Gritsenko, V. A. ; Islamov, D. R. et al. / Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2. In: JETP Letters. 2018 ; Vol. 107, No. 1. pp. 55-60.

BibTeX

@article{d228530d257d4d19ae47bf25a2306a0a,
title = "Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2",
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.",
author = "Perevalov, {T. V.} and Gritsenko, {V. A.} and Islamov, {D. R.} and Prosvirin, {I. P.}",
note = "Publisher Copyright: {\textcopyright} 2018, Pleiades Publishing, Inc.",
year = "2018",
month = jan,
day = "1",
doi = "10.1134/S0021364018010071",
language = "English",
volume = "107",
pages = "55--60",
journal = "JETP Letters",
issn = "0021-3640",
publisher = "MAIK NAUKA/INTERPERIODICA/SPRINGER",
number = "1",

}

RIS

TY - JOUR

T1 - Electronic Structure of Oxygen Vacancies in the Orthorhombic Noncentrosymmetric Phase Hf0.5Zr0.5O2

AU - Perevalov, T. V.

AU - Gritsenko, V. A.

AU - Islamov, D. R.

AU - Prosvirin, I. P.

N1 - Publisher Copyright: © 2018, Pleiades Publishing, Inc.

PY - 2018/1/1

Y1 - 2018/1/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85044006723&partnerID=8YFLogxK

U2 - 10.1134/S0021364018010071

DO - 10.1134/S0021364018010071

M3 - Article

AN - SCOPUS:85044006723

VL - 107

SP - 55

EP - 60

JO - JETP Letters

JF - JETP Letters

SN - 0021-3640

IS - 1

ER -

ID: 12027734