Preparation, cell constants, and some magnetic properties of CeScO3

Greedan, J. E.; Seto, K.

doi:10.1016/0025-5408(81)90017-9

Cited by 15 publications

(15 citation statements)

References 9 publications

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“…Ultimately, it is shown that the use of the GGA-PBEsol + U approximation gives a good agreement with respect to the available experimental data of refs. 10,38 The calculated bulk modulus is very close to the measured one and confirms the low compressibility of the CeScO 3 compound. For a complete assessment of our analysis, we gather in Table 2 our relaxed atomic positions.…”

Section: ■ Results and Discussionsupporting

confidence: 76%

“…7 Particularly, orthorhombic CeScO 3 is a promising compound that can be manufactured by means of low-cost and non-contaminant procedures. 8,9 As part of the characterization of CeScO 3 , required for its use in applications, this material was subjected to ambient pressure studies. 8,9 On top of that, there is a recent investigation, 10 where it was analyzed under the application of hydrostatic and nonhydrostatic pressure.…”

Section: ■ Introductionmentioning

confidence: 99%

“…8,9 As part of the characterization of CeScO 3 , required for its use in applications, this material was subjected to ambient pressure studies. 8,9 On top of that, there is a recent investigation, 10 where it was analyzed under the application of hydrostatic and nonhydrostatic pressure. According to this study, CeScO 3 is highly stable under compression, which contrasts with the behavior of other perovskites.…”

Section: ■ Introductionmentioning

confidence: 99%

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Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO₃Perovskite

et al. 2020

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CeScO 3 is a promising perovskite-type material that presents the characteristic to remain highly stable upon compression, contrary to other perovskite compounds that often undergo phase transformations under pressure. In contrast with the structural behavior of CeScO 3 , the influence of pressure on other of its physical properties, such as electronic, vibrational, atomic, and polyhedral bulk and elastic properties, is still unknown. In this work, we propose to fill this gap by a combination of computational quantum-mechanics methodologies based on density-functional theory (DFT) and high-pressure Raman spectroscopy experiments. In particular, the influence of pressure in the crystal structure has been studied, up to 40 GPa, and compared with previous experiments showing that DFT properly describes the changes induced by pressure in CeScO 3 . Calculations have also been used to obtain phonon frequencies and their pressure dependence and to propose a mode-symmetry assignment. From Raman experiments, we have obtained the frequency and pressure dependence of lattice vibrations involving changes in polarizability, validating phonon calculations, which give not only Raman-active but also infrared-active and silent modes. In addition, phonon-dispersion and elastic-constant calculations are consistent with the structural stability of an orthorhombic perovskite-type up to 40 GPa. Finally, we provide a description of the electronic band structure, showing that CeScO 3 has a much smaller band gap than other scandates because of the role of Ce f-electrons. Such electrons also cause a closing of the electronic band gap under compression.

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Section: ■ Results and Discussionsupporting

confidence: 76%

Section: ■ Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

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Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO₃Perovskite

et al. 2020

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“…22 This compound has also interesting magnetic properties. 22 The crystal structure of CeScO3 is shown in Fig.…”

Section: Introductionmentioning

confidence: 99%

Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO₃

et al. 2017

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The effects of high pressure on the crystal structure of orthorhombic (Pnma) perovskite-type cerium scandate were studied in situ under high pressure by means of synchrotron X-ray powder diffraction, using a diamond-anvil cell. We found that the perovskite-type crystal structure remains stable up to 40 GPa, the highest pressure reached in the experiments. The evolution of unit-cell parameters with pressure indicated an anisotropic compression. The room-temperature pressure-volume equation of state (EOS) obtained from the experiments indicated the EOS parameters V = 262.5(3) Å, B = 165(7) GPa, and B' = 6.3(5). From the evolution of microscopic structural parameters like bond distances and coordination polyhedra of cerium and scandium, the macroscopic behavior of CeScO under compression was explained and reasoned for its large pressure stability. The reported results are discussed in comparison with high-pressure results from other perovskites.

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“…19 Until recently there was only one report on the synthesis of CeScO 3 wherein it was synthesized using an arc-melting method. 20 Our group recently reported a two-step synthesis procedure for the stabilization of Ce 3+ ions in the same scandate perovskite structure. 21 The first step involved the preparation of homogenized cerium and scandium containing nano-crystalline precursors.…”

Section: Introductionmentioning

confidence: 99%

A chemical method for stabilizing a new series of solid solution Pr_1−xCe_xScO₃ (0.0 ≤ x ≤ 1.0) systems

2015

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A new series of Pr1-xCexScO3 (0.0 ≤x≤ 1.0) compounds was synthesized by a two-step synthesis route, involving a combustion reaction followed by reduction while heating in a low partial pressure of O2, generated by a zirconium sponge that acts as an oxygen getter. For the first time, perovskite solid solution formation was observed in this series in the entire homogeneity range. These compounds were characterized using XRD, Raman spectroscopy and DRUV-visible spectroscopy. Rietveld refinement was carried out on the XRD data to determine unit cell parameters, bond lengths, bond angles along with the tilt angles for ScO6 octahedra. The analyses of the Raman shift were also in agreement with the XRD data. All compounds in this series showed a decreasing trend in the bandgap from 4.74 to 2.91 eV as a function of increasing Ce(3+) concentration.

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Preparation, cell constants, and some magnetic properties of CeScO3

Cited by 15 publications

References 9 publications

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO₃Perovskite

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO₃Perovskite

Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO₃

A chemical method for stabilizing a new series of solid solution Pr_1−xCe_xScO₃ (0.0 ≤ x ≤ 1.0) systems

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Preparation, cell constants, and some magnetic properties of CeScO3

Cited by 15 publications

References 9 publications

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3Perovskite

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3Perovskite

Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO3

A chemical method for stabilizing a new series of solid solution Pr1−xCexScO3 (0.0 ≤ x ≤ 1.0) systems

Contact Info

Product

Resources

About

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO₃Perovskite

Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO₃Perovskite

Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO₃

A chemical method for stabilizing a new series of solid solution Pr_1−xCe_xScO₃ (0.0 ≤ x ≤ 1.0) systems