Lattice Dynamics and Structural Phase Transitions in Eu2O3
العنوان: | Lattice Dynamics and Structural Phase Transitions in Eu2O3 |
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المؤلفون: | J. Łażewski, J. Kalt, Svetoslav Stankov, Małgorzata Sternik, Aleksandr I. Chumakov, Rudolf Rüffer, Tilo Baumbach, Jörg Göttlicher, Przemysław Piekarz, Paweł T. Jochym |
المصدر: | Inorganic chemistry, 60 (13), 9571–9579 |
بيانات النشر: | American Chemical Society (ACS), 2021. |
سنة النشر: | 2021 |
مصطلحات موضوعية: | Technology, Condensed matter physics, 010405 organic chemistry, Phonon, Lattice (group), chemistry.chemical_element, Inelastic scattering, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, symbols.namesake, Sesquioxide, chemistry, symbols, Density functional theory, Physical and Theoretical Chemistry, Europium, Raman spectroscopy, ddc:600, Monoclinic crystal system |
الوصف: | Using the density functional theory, we study the structural and lattice dynamical properties of europium sesquioxide ($Eu_{2}O_{3}$) in the cubic, trigonal, and monoclinic phases. The obtained lattice parameters and energies of the Raman modes show a good agreement with the available experimental data. The Eu-partial phonon density of states calculated for the cubic structure is compared with the nuclear inelastic scattering data obtained from a 20 nm thick $Eu_{2}O_{3}$ film deposited on a YSZ substrate. A small shift of the experimental spectrum to higher energies results from a compressive strain induced by the substrate. On the basis of lattice and phonon properties, we analyze the mechanisms of structural transitions between different phases of $Eu_{2}O_{3}$. |
وصف الملف: | application/pdf |
تدمد: | 1520-510X 0020-1669 |
URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ef6e9459d9213ea05b25dc8748d3b2a https://doi.org/10.1021/acs.inorgchem.1c00708 |
حقوق: | OPEN |
رقم الأكسشن: | edsair.doi.dedup.....4ef6e9459d9213ea05b25dc8748d3b2a |
قاعدة البيانات: | OpenAIRE |
تدمد: | 1520510X 00201669 |
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