Structural, hyperfine and Raman properties of RE2FeSbO7 compounds

Berndt, Graciele; Silva, K. L.; Ivashita, Flávio F.; Paesano, Andrea; Blanco, Marìa Cecilia; Miner, Elisa Victoria Pannunzio; Carbonio, R. E.; Dantas, S.M.C.; Ayala, A. P.; Isnard, O.

doi:10.1016/j.jallcom.2014.08.068

Cited by 6 publications

(1 citation statement)

References 39 publications

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“…The GULP code was used to calculate the vibrational properties of Gd 2 Zr 2 O 7 pyrochlores. , The interatom interaction can be described by the Buckingham potential: where r ij is the distance between atoms i and j , Z i and Z j are the effective charges of atoms i and j , respectively, and A ij , ρ ij , and C ij are the parameters of atom i – atom j interaction. According to group theory, Gd 2 Zr 2 O 7 pyrochlores with the Fd 3̅ m space group have the following phonon modes at the Γ point: where A 1g , E g , and 4F 2g are Raman-active and seven F 1u are infrared-active.…”

Section: Methodsmentioning

confidence: 99%

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd₂Zr₂O₇

Shu

Wen

et al. 2022

Langmuir

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To safely dispose radioactive waste (including, e.g., thorium and radiostrontium), Ce4+ and Sr2+ were chosen as simulated surrogates of α and β waste and were introduced into the Gd3+ site in Gd2Zr2O7 to maintain the average cationic radius and to compensate for charge. A series of Gd2–x Sr x/2Ce x/2Zr2O7 (0.00 ≤ x ≤ 0.25) compounds were examined by experimental and theoretical calculations to investigate the co-doping effects of α and β waste in a Gd2Zr2O7-based matrix. The effects of Ce4+ and Sr2+ content on the phase, unit cell parameters, active modes, mechanical property, and microstructure were studied systematically. Moreover, the limit of incorporation of Ce4+ and Sr2+ in Gd2Zr2O7 pyrochlore and the lattice parameters were also calculated through virtual crystal approximation theory, and the results were found to well agree with experimental results.

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Section: Methodsmentioning

confidence: 99%

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd₂Zr₂O₇

Shu

Wen

et al. 2022

Langmuir

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ChemInform Abstract: Structural, Hyperfine and Raman Properties of RE₂FeSbO₇ Compounds.

et al. 2014

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Traversing the pyrochlore stability diagram: Microwave-assisted synthesis and discovery of mixedB-siteLn2InSbO7family

Ortiz

Sarte

Pokharel

et al. 2022

Phys. Rev. Materials

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Structural, hyperfine and Raman properties of RE2FeSbO7 compounds

Cited by 6 publications

References 39 publications

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd₂Zr₂O₇

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd₂Zr₂O₇

ChemInform Abstract: Structural, Hyperfine and Raman Properties of RE₂FeSbO₇ Compounds.

Traversing the pyrochlore stability diagram: Microwave-assisted synthesis and discovery of mixedB-siteLn2InSbO7family

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Structural, hyperfine and Raman properties of RE2FeSbO7 compounds

Cited by 6 publications

References 39 publications

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd2Zr2O7

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd2Zr2O7

ChemInform Abstract: Structural, Hyperfine and Raman Properties of RE2FeSbO7 Compounds.

Traversing the pyrochlore stability diagram: Microwave-assisted synthesis and discovery of mixedB-siteLn2InSbO7family

Contact Info

Product

Resources

About

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd₂Zr₂O₇

Experimentally and Theoretically Revealing the Co-Doping Effects of Ce–Sr in Gd₂Zr₂O₇

ChemInform Abstract: Structural, Hyperfine and Raman Properties of RE₂FeSbO₇ Compounds.