Effect of Cerium Doping on Crystal Structure and Magnetic Properties of La&lt;sub&gt;1&amp;minus;&lt;/sub&gt;&lt;i&gt;&lt;sub&gt;y&lt;/sub&gt;&lt;/i&gt;Ce&lt;i&gt;&lt;sub&gt;y&lt;/sub&gt;&lt;/i&gt;Fe&lt;sub&gt;11.44&lt;/sub&gt;Si&lt;sub&gt;1.56&lt;/sub&gt; Compounds

Anh, Do Thi Kim; Hiep, Vuong Van; Kurisu, Makio; Chau, Dinh Van; Nhat, Hoang Nam

doi:10.2320/matertrans.ma201518

Cited by 10 publications

(4 citation statements)

References 22 publications

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“…in ref. [9][10][11][12][13][14]. Note that, the cationic sizes of all lanthanides are smaller than the one of La 3+ (1.06 Å).…”

Section: Resultsmentioning

confidence: 99%

Saturated Magnetization in Sm and Tb Doped La(Fe0.88Si0.12)13

Hiep¹,

Anh²,

Bang³

et al. 2019

MaP

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: The saturated magnetization in 20% substituted La0.8R0.2(Fe0.88Si0.12)13 (R = Sm, Tb) magneto-caloric alloys is discussed in this work. The measurements were taken up to 70 kOe (7 Tesla) to detect the saturation of magnetic moments. As reported recently [Mat. Trans. 59(7) (2018) 1068], these compounds show a large variation of magnetic entropies at low field variation (~ 1.5 T), which associate with the large relative cooling efficiency (RCP) of 52 (for Tb-doped) and 102 J/kg (for Sm-doped) even at low effective DH of ~ 15 kOe. We re-detected the effective range of field variation DH and recognized that the effective DH ~ 5 kOe which is much lower than the value of other magneto-caloric compounds and is excellent for application of Sm-doped compound in modern cooling devices. Keywords: Magnetic, alloys, LaFe13, phase transition, rare-earth.

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“…in ref. [9][10][11][12][13][14]. Note that, the cationic sizes of all lanthanides are smaller than the one of La 3+ (1.06 Å).…”

Section: Resultsmentioning

confidence: 99%

Saturated Magnetization in Sm and Tb Doped La(Fe0.88Si0.12)13

Hiep¹,

Anh²,

Bang³

et al. 2019

MaP

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“…On the other hand, when Fe was replaced by Co, the TC value increased and MCE significantly reduced [16]. The replacement of La by other rare earth elements such as Pr, Nd, Ce, Er resulted that the Curie temperature decreased but the MCE increased slightly [17][18][19]. During the sample preparation process, a small amount of La usually evaporates due to its low melting point.…”

Section: Introductionmentioning

confidence: 99%

The Effect of Residual La on Crystal Structure and Magnetic Properties of La1+Fe11.05Si1.95 Compounds

Hiep¹,

Anh

Bang³

et al. 2020

MaP

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In this paper, we present the results of the study of the effect of residual La on crystal structure, magnetic properties of La1+dFe11.05Si1.95 (d = 0.00; 0.03; 0.06 and 0.09) compounds. The analysis of X-ray diffractions showed that when the La content increases to 9%, the structure still remains cubic in a typical NaZn13 arrangement with unchanged lattice constant (about 0.5%). All compounds exhibit ferromagnetic - paramagnetic phase transitions. The Curie temperature TC increases slightly from 235 to 245 K.

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“…Knowing that the large band gap of BaZrO 3 can be tuned to tailor its applications in the UV and visible regions of the electromagnetic spectra, doping with isovalent rare-earth atoms having ionic radii comparable to Ba or Zr in BaZrO 3 provides unique opportunities for improving the photocatalytic performance of barium zirconate . In this context, similar charge states and minor difference between the ionic radii of Zr 4+ (0.72 Å) ion and Ce 4+ (0.87 Å) ion reveal that cerium would be easily accommodated at a Zr site of BaZrO 3 lattice . Importantly, the unique property of Ce 4+ ion to become Ce 3+ by absorbing a photogenerated electron can be highly beneficial for increasing its photocatalytic performance.…”

Section: Introductionmentioning

confidence: 99%

“…24 In this context, similar charge states and minor difference between the ionic radii of Zr 4+ (0.72 Å) ion and Ce 4+ (0.87 Å) ion reveal that cerium would be easily accommodated at a Zr site of BaZrO 3 lattice. 25 Importantly, the unique property of Ce 4+ ion to become Ce 3+ by absorbing a photogenerated electron can be highly beneficial for increasing its photocatalytic performance. Hence, tuning the optical properties of large-band-gap BaZrO 3 by doping Ce 4+ ion at the Zr site can satisfy the requisites of a photocatalyst suitable for both sonophotocatalysis and sonocatalysis processes.…”

Section: Introductionmentioning

confidence: 99%

Density Functional Theory Evaluation of Ceramics Suitable for Hybrid Advanced Oxidation Processes: A Case Study for Ce⁴⁺-Doped BaZrO₃

et al. 2019

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Ceramic photocatalysts have become a focus of several research works in the sonochemistry community owing to their potential for enhancing the degradation of organic pollutants during sonocatalysis or sonophotocatalysis. Although various ceramic materials have been developed and employed in hybrid advanced oxidation processes in the past decades, the physics and chemistry governing the photocatalytic performance of these materials at the atomistic level are usually derived from assumptions based on experimental observations. In the present study, we employ computationally economical density functional theory (DFT)based ab initio calculations for evaluating the physical properties of undoped and doped modifications of largeband-gap ceramics. Motivated by a recent experimental work, we have studied the thermodynamic and optoelectronic properties of pristine-and Ce 4+ -doped BaZrO 3 compounds for selected concentrations of cerium dopant (x = 0, 0.037, and 0.125). Our results provide a clear insight into the relationship between dopant concentration x and the improved optical properties of BaZr 1−x Ce x O 3 compounds, which is directly related to the enhancement of their photocatalytic activity. The physical properties of Ce 4+ -doped BaZrO 3 ceramics obtained using DFT calculations are not only found to be in good agreement with experiment, but can also provide a deeper understanding of their tunable optoelectronic properties, which can be tailored to attain functionalities required for practical applications. Based on our results, we conclude that modern DFT can serve as an efficient tool for predicting ceramic photocatalysts suitable for advancing hybrid advanced oxidation processes of sonochemistry.

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Effect of Cerium Doping on Crystal Structure and Magnetic Properties of La<sub>1−</sub><i><sub>y</sub></i>Ce<i><sub>y</sub></i>Fe<sub>11.44</sub>Si<sub>1.56</sub> Compounds

Cited by 10 publications

References 22 publications

Saturated Magnetization in Sm and Tb Doped La(Fe0.88Si0.12)13

Saturated Magnetization in Sm and Tb Doped La(Fe0.88Si0.12)13

The Effect of Residual La on Crystal Structure and Magnetic Properties of La1+Fe11.05Si1.95 Compounds

Density Functional Theory Evaluation of Ceramics Suitable for Hybrid Advanced Oxidation Processes: A Case Study for Ce⁴⁺-Doped BaZrO₃

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Effect of Cerium Doping on Crystal Structure and Magnetic Properties of La<sub>1&minus;</sub><i><sub>y</sub></i>Ce<i><sub>y</sub></i>Fe<sub>11.44</sub>Si<sub>1.56</sub> Compounds

Cited by 10 publications

References 22 publications

Saturated Magnetization in Sm and Tb Doped La(Fe0.88Si0.12)13

Saturated Magnetization in Sm and Tb Doped La(Fe0.88Si0.12)13

The Effect of Residual La on Crystal Structure and Magnetic Properties of La1+Fe11.05Si1.95 Compounds

Density Functional Theory Evaluation of Ceramics Suitable for Hybrid Advanced Oxidation Processes: A Case Study for Ce4+-Doped BaZrO3

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Effect of Cerium Doping on Crystal Structure and Magnetic Properties of La<sub>1−</sub><i><sub>y</sub></i>Ce<i><sub>y</sub></i>Fe<sub>11.44</sub>Si<sub>1.56</sub> Compounds

Density Functional Theory Evaluation of Ceramics Suitable for Hybrid Advanced Oxidation Processes: A Case Study for Ce⁴⁺-Doped BaZrO₃