Comparative analysis of the electronic energy structure of nanocrystalline polymorphs of Y2O3 thin Layers: Theory and experiments
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Comparative analysis of the electronic energy structure of nanocrystalline polymorphs of Y2O3 thin Layers: Theory and experiments
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| Автор |
Boukhvalov, D. W.
Zatsepin, D. A. Kuznetsova, Y. A. Gavrilov, N. V. Zatsepin, A. F. |
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| Тематика |
BANDS SPLITTING
CO ADSORPTION DEFECTS NANOCRYSTALLINE FILMS SURFACE STABILITY YTTRIUM OXIDE DEFECT STATES DENSITY FUNCTIONAL THEORY LIGHT ABSORPTION NANOCRYSTALS OXIDE FILMS PHOTOELECTRON SPECTROSCOPY PHOTOLUMINESCENCE YTTRIUM OXIDE BAND SPLITTING CO-ADSORPTION COMPARATIVE ANALYZES ELECTRONIC ENERGIES ELECTRONIC.STRUCTURE ENERGY STRUCTURES NANO-CRYSTALLINE FILMS NANO-CRYSTALLINE LAYERS NANOCRYSTALLINES SURFACE STABILITY ELECTRONIC STRUCTURE |
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| Описание |
The results of fabrication and characterization of atomic structure of nanocrystalline thin layers of Y2O3 in cubic and monoclinic phases is reported. Experimental data demonstrate crystalline ordering in nanocrystalline films with average grain size of ∼ 10–14 nm both for cubic and monoclinic studied structures. Density Functional Theory (DFT) based simulations demonstrate insignificant differences of electronic structure of these phases in the bulk and on the surfaces. Theoretical modeling also pointed out the significant broadening of valence and conductive bands caused by means of energy levels splitting in agreement with experimental data (X-ray photoelectron and photoluminescence spectra). The presence of various intrinsic and extrinsic defects (including surface adsorption of carbon mono- and dioxide) does not promote visible changes in electronic structure of Y2O3 surface for both studied phases. Optical absorption and luminescence measurements indicate insignificant bandgap reduction of Y2O3 nanocrystalline layers and the very little contribution from defect states. Simulation of extrinsic compression and expanding demonstrate stability of the electronic structure of nanocrystalline Y2O3 even under significant strain. Results of comprehensive studies demonstrate that yttrium oxide based nanocrystalline layers are prospective for various optical applications as a stable material. © 2022 Elsevier B.V.
Russian Science Foundation, RSF: 21-12-00392 The work has been supported by the Russian Science Foundation (project № 21-12-00392 ). |
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| Дата |
2024-04-05T16:18:51Z
2024-04-05T16:18:51Z 2023 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) |info:eu-repo/semantics/submittedVersion |
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| Идентификатор |
Boukhvalov, DW, Zatsepin, DA, Kuznetsova, YA, Gavrilov, NV & Zatsepin, AF 2023, 'Comparative analysis of the electronic energy structure of nanocrystalline polymorphs of Y2O3 thin Layers: Theory and experiments', Applied Surface Science, Том. 613, 155935. https://doi.org/10.1016/j.apsusc.2022.155935
Boukhvalov, D. W., Zatsepin, D. A., Kuznetsova, Y. A., Gavrilov, N. V., & Zatsepin, A. F. (2023). Comparative analysis of the electronic energy structure of nanocrystalline polymorphs of Y2O3 thin Layers: Theory and experiments. Applied Surface Science, 613, [155935]. https://doi.org/10.1016/j.apsusc.2022.155935 0169-4332 Final All Open Access, Green https://www.scopus.com/inward/record.uri?eid=2-s2.0-85143697236&doi=10.1016%2fj.apsusc.2022.155935&partnerID=40&md5=32b24bf35ec3dd9127a1a86a5666352e https://arxiv.org/pdf/2211.16004 http://elar.urfu.ru/handle/10995/130359 10.1016/j.apsusc.2022.155935 85143697236 000901479100005 |
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| Язык |
en
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| Связанные ресурсы |
info:eu-repo/grantAgreement/RSF//21-12-00392
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| Права |
Open access (info:eu-repo/semantics/openAccess)
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| Формат |
application/pdf
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| Издатель |
Elsevier B.V.
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| Источник |
Applied Surface Science
Applied Surface Science |
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