1. Lattice Dynamics and Structural Phase Transitions in Eu2O3
- Author
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J. Łażewski, J. Kalt, Svetoslav Stankov, Małgorzata Sternik, Aleksandr I. Chumakov, Rudolf Rüffer, Tilo Baumbach, Jörg Göttlicher, Przemysław Piekarz, and Paweł T. Jochym
- Subjects
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 - Abstract
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 $Eu_{2}O_{3}$.
- Published
- 2021