Magnetic susceptibility of pyrochlores R2Ti2O7: R = Gd, Dy, Tb

Kuznetsov, A. V.; Churkin, O. A.; Иванов, А. А.; Попов, В. В.; Alekseev, P. A.; Менушенков, А. П.

doi:10.1016/j.jmmm.2019.166326

Cited by 3 publications

(2 citation statements)

References 70 publications

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“…More generically, these rare-earth (RE) pyrochlores possess the molecular formula (A 3+ 2 B 4+ 2 O 2− 7 ), where the A-site contains the large RE 3+ cations and the B-site consists of smaller (e.g. Sn 4+ , Zr 4+ , Hf 4+ ), higher-valence cations [5]. The structure of pyrochlore can be derived from the fluorite (CaF 2 ) structure by removing one-eighth of the anions [6].…”

Section: Introductionmentioning

confidence: 99%

Effect of Mn doping on the electronic and optical properties of Dy₂Ti₂O₇: a combined spectroscopic and theoretical study

Upadhyay

Shukla

Pandey

et al. 2023

J. Phys.: Condens. Matter

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Electronic and optical studies on Dy2Ti2−xMnxO7 (x = 0.00, 0.05, 0.10, 0.15, & 0.20) has been presented through both, theoretical (density functional theory calculations) and experimental (ultraviolet-visible absorption and photoluminescence emission spectroscopy) approaches. Density functional theory (DFT) calculations were employed considering the local density approximation (LDA) and LDA-1/2 for exchange-correlation interactions. Computed crystallographic parameters and energy band-gap using theoretical formulations are in good agreement with experimental results. The band-gap value obtained through the LDA-1/2 approach indicates insulated ground state of Dy2Ti2−xMnxO7 (x = 0.00, 0.05, 0.10, 0.15, 0.20) system. Experimentally obtained band gap value reduces from 3.82 eV to 2.45 eV with increase in positive chemical pressure as x increases from 0 to 0.20. Reduction in band gap value is attributed to the fact that there exists a lack of hybridization between the O-2p orbital and Ti-3d orbital, which is well corelated with the crystallographic data. Jahn-Teller effect is likely to be responsible for the presence of a mixed state of Mn (explained using x-ray photoelectron spectroscopy results), resulting in the intermediate Mn state between the valence band (VB) and the conduction band (CB) with immediate inclusion of Mn at Ti site in Dy2Ti2−xMnxO7 system.

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Section: Introductionmentioning

confidence: 99%

Effect of Mn doping on the electronic and optical properties of Dy₂Ti₂O₇: a combined spectroscopic and theoretical study

Upadhyay

Shukla

Pandey

et al. 2023

J. Phys.: Condens. Matter

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“…The rare earth pyrochlore (RE 2 Ti 2 O 7 ) titanates are emerging as multi-functional materials because of their unique structural and intriguing physical properties which include magnetism, dielectric and ferroelectric phenomena, and also used as solid state DOI: 10.1002/crat.202100287 electrolytes. [1,2,[3][4][5][6][7][8][9][10][11] The gadolinium titanate (Gd 2 Ti 2 O 7 , GTO) is one of the technologically important materials with diverse applications including photocatalysis, ionic conductivity, host material for optical emission and nuclear waste immobilization. [4][5][6][7][8][9] Since many of the physical and chemical properties of GTO emerge from the oxygen offstoichiometry, the study on structureproperty correlation is indispensable.…”

Section: Introductionmentioning

confidence: 99%

Raman and Photoluminescence Spectroscopic Studies on Structural Disorder in Oxygen Deficient Gd₂Ti₂O_7‐δ Single Crystals

Suganya

Ganesan

Vijayakumar

et al. 2022

Crystal Research and Technology

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We report on Raman and photoluminescence spectroscopic studies on oxygen vacancy induced structural disorder in Gd2Ti2O7- single crystals grown by optical floating zone technique under argon atmosphere. The oxygen vacancies in Gd2Ti2O7- wafers decrease with thermal annealing in air atmosphere. The full width at half maximum of X-ray diffraction rocking curve decreases from 245 to 157 arc-second and the optical transmittance increases from 23 to 87 % (at 1000 nm) upon post growth thermal annealing. Raman spectroscopic studies reveal a monotonic increase in intensity of O-Gd-O (Eg) and Ti-O (A1g) stretching modes with thermal annealing.Since these modes are associated with modulation of oxygen x parameter which is sensitive to Ti-O octahedron distortion, the increase in Raman intensity indicates an improvement in structural ordering of oxygen sub-lattice in Gd2Ti2O7-. Moreover, the photoluminescence studies also corroborate the Raman analysis in terms of reduction of structural defects associated with oxygen vacancies as a function of thermal annealing. This study demonstrates the effectiveness of using Raman spectroscopy to probe the structural disorder in Gd2Ti2O7- crystals.

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Prediction of the lattice constants of pyrochlore compounds using machine learning

et al. 2022

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Magnetic susceptibility of pyrochlores R2Ti2O7: R = Gd, Dy, Tb

Cited by 3 publications

References 70 publications

Effect of Mn doping on the electronic and optical properties of Dy₂Ti₂O₇: a combined spectroscopic and theoretical study

Effect of Mn doping on the electronic and optical properties of Dy₂Ti₂O₇: a combined spectroscopic and theoretical study

Raman and Photoluminescence Spectroscopic Studies on Structural Disorder in Oxygen Deficient Gd₂Ti₂O_7‐δ Single Crystals

Prediction of the lattice constants of pyrochlore compounds using machine learning

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Magnetic susceptibility of pyrochlores R2Ti2O7: R = Gd, Dy, Tb

Cited by 3 publications

References 70 publications

Effect of Mn doping on the electronic and optical properties of Dy2Ti2O7: a combined spectroscopic and theoretical study

Effect of Mn doping on the electronic and optical properties of Dy2Ti2O7: a combined spectroscopic and theoretical study

Raman and Photoluminescence Spectroscopic Studies on Structural Disorder in Oxygen Deficient Gd2Ti2O7‐δ Single Crystals

Prediction of the lattice constants of pyrochlore compounds using machine learning

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Product

Resources

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Magnetic susceptibility of pyrochlores R2Ti2O7: R = Gd, Dy, Tb

Effect of Mn doping on the electronic and optical properties of Dy₂Ti₂O₇: a combined spectroscopic and theoretical study

Effect of Mn doping on the electronic and optical properties of Dy₂Ti₂O₇: a combined spectroscopic and theoretical study

Raman and Photoluminescence Spectroscopic Studies on Structural Disorder in Oxygen Deficient Gd₂Ti₂O_7‐δ Single Crystals