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Spin-polarized scrutiny on structural, elastic, thermodynamic, magneto-electronic, and optical attributes of rare-earth based Eu2XWO6 (X=Mg, Zn) double perovskites for spintronic and optoelectronics 稀土基Eu2XWO6 (X=Mg, Zn)双钙钛矿结构、弹性、热力学、磁电子和光学属性的自旋极化研究
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2024-10-26 DOI: 10.1016/j.jre.2024.10.010
Hudabia Murtaza , Junaid Munir , Quratul Ain , Abdullah S. Aldwayyan , Hamid M. Ghaithan , Abdullah Ahmed Ali Ahmed , Saif M.H. Qaid
The half metallic character in double perovskites makes them highly sought-after materials for the use in spintronics applications. Spintronic devices can operate at far higher speeds with less power consumption which has the potential to eventually replace traditional electronics. In this manuscript, we theoretically investigated the physical properties of europium based double perovskites Eu2XWO6 (X = Mg, Zn). The volume optimization was done for both compounds, which demonstrate complete structural stability, while their thermodynamic stability is confirmed through the calculated formation energies. The mechanical properties reveal that both studied compounds fulfill the Born's stability criteria. The electronic properties of Eu2MgWO6 and Eu2ZnWO6 reveal that in spin up channel both materials exhibit metallic character, while in spin down channel, indirect bandgaps of 4.11 and 3.97 eV are noticed for Eu2MgWO6 and Eu2ZnWO6, respectively, showing half-metallic behavior. The examination of the magnetic properties shows a significant magnetic moment of 14 μB for Eu2XWO6 (X = Mg, Zn). High optical conductivity and absorption are noticed in the UV region as shown by the optical traits of Eu2XWO6 (X = Mg, Zn). Both materials show high magnetic moments, which leads to high spin polarization and are considered highly effective for the functioning of spintronic devices.
双钙钛矿的半金属特性使其在自旋电子学应用中备受追捧。自旋电子设备可以以更低的功耗以更高的速度运行,这有可能最终取代传统的电子设备。在本文中,我们从理论上研究了铕基双钙钛矿Eu2XWO6 (X = Mg, Zn)的物理性质。对这两种化合物进行了体积优化,证明了它们的结构完全稳定,同时通过计算的地层能证实了它们的热力学稳定性。力学性能表明,所研究的两种化合物都符合玻恩的稳定性标准。Eu2MgWO6和Eu2ZnWO6的电子性质表明,在自旋向上通道中,两种材料都表现出金属性质,而在自旋向下通道中,Eu2MgWO6和Eu2ZnWO6分别表现出4.11和3.97 eV的间接带隙,表现出半金属性质。磁性能测试表明,Eu2XWO6 (X = Mg, Zn)的磁矩为14 μB。Eu2XWO6 (X = Mg, Zn)的光学特性表明其在紫外区具有较高的光学导电性和吸收率。这两种材料都表现出高磁矩,这导致了高自旋极化,被认为是自旋电子器件功能的高效材料。
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引用次数: 0
Synergistic optimization of mechanical properties and corrosion resistance in Sm-doped Mg-Gd-Zn-Zr biodegradable magnesium alloys sm掺杂Mg-Gd-Zn-Zr可生物降解镁合金力学性能和耐蚀性的协同优化
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2024-10-28 DOI: 10.1016/j.jre.2024.10.007
Fayan Yu , Yi Peng , Fuguo Liu , Peng Peng , Cheng Zhang , Shuai Long , Jianyue Zhang , Qingshan Yang , Qingwei Dai , Jia She , Fusheng Pan
Mg alloys have broad application potential thanks to their low density, degradability, and biocompatibility. However, the inherent conflict between corrosion resistance and mechanical properties poses a significant challenge that restricts the application of Mg alloys as biomaterials. This study investigated the incorporation of Sm (0 wt%, 2 wt%, 4 wt%, 6 wt%) into the Mg-7Gd-0.5Zr-0.5Zn alloy to enhance its mechanical properties and corrosion resistance. The findings suggest that incorporating the Sm element improves the tensile yield strength (TYS), ultimate tensile strength (UTS) and corrosion resistance despite the sacrifice of elongation. The Mg-7Gd-2Sm-0.5Zr-0.5Zn alloy presents an outstanding balance of corrosion resistance and mechanical properties. The TYS, UTS, and fracture elongation (FE) are 175 MPa, 265.8 MPa, and 19%, respectively. The corrosion rate is significantly reduced from 4.02 to 2.55 mm/y. With the increment of Sm content, the grains are refined, and the texture is weakened. Sm element is beneficial to the promotion of the precipitation of second phases, forming Sm-containing (Mg, Zn)3RE phase and Mg5RE phase. Meanwhile, Sm promotes the co-segregation of elements at grain boundaries and stacking faults, which collectively influence the performance. The impacts of elements co-segregation and second phase on strengthening mechanisms and corrosion mechanisms are discussed in detail.
镁合金具有低密度、可降解性和生物相容性等优点,具有广阔的应用前景。然而,镁合金的耐腐蚀性能和力学性能之间的内在冲突是制约其作为生物材料应用的重大挑战。本文研究了在Mg-7Gd-0.5Zr-0.5Zn合金中掺入Sm (0 wt%、2 wt%、4 wt%、6 wt%)以提高合金的力学性能和耐腐蚀性。结果表明,在牺牲延伸率的情况下,Sm元素的加入提高了合金的抗拉屈服强度(TYS)、极限抗拉强度(UTS)和耐腐蚀性。Mg-7Gd-2Sm-0.5Zr-0.5Zn合金具有良好的耐腐蚀性能和力学性能。TYS、UTS和断裂伸长率(FE)分别为175 MPa、265.8 MPa和19%。腐蚀速率由4.02 mm/y显著降低到2.55 mm/y。随着Sm含量的增加,晶粒细化,织构减弱。Sm元素有利于促进第二相的析出,形成含Sm (Mg, Zn)3RE相和Mg5RE相。同时,Sm促进晶界元素的共偏析和层错,共同影响性能。详细讨论了元素共偏析和第二相对强化机制和腐蚀机制的影响。
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引用次数: 0
Efficient tunable long persistent luminescence of Ce-Tb co-doped boroaluminate glass for dynamic encryption anticounterfeiting 用于动态加密防伪的Ce-Tb共掺硼铝酸盐玻璃的高效可调谐长持续发光
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2024-10-01 DOI: 10.1016/j.jre.2024.09.030
Xingzhen Huang, Yixi Wu, Jing Li, Zhaojing Kuang, Junjie Zhang
Ce3+, due to its broadband emission, has the potential to serve as a donor ion for energy transfer to achieve the possible efficient tunable multi-emission in materials. However, current related research primarily focuses on photoluminescent (PL) phosphors, while studies on achieving tunable long persistent luminescence (LPL), particularly in glass materials, are insufficient. In this work, Ce-Tb co-doped boroaluminate glass was synthesized using a high-temperature melting method under a reducing atmosphere. Under the influence of oxygen vacancy traps induced during the reduction of Ce4+ to Ce3+, glass samples exhibit an obvious LPL with a broadband center wavelength at 420 nm and a narrowband center wavelength at 547 nm, which correspond well to Ce3+ ions’ d–f transitions and Tb3+ ions’ f–f transitions, respectively. A reasonable Ce3+ doping amount achieves the optimal trap depth and concentration to enhance LPL intensity and duration. Additionally, it improves the PL intensity of Tb3+ by enhancing the energy transfer from Ce3+ to Tb3+, thereby enabling the glass to exhibit variable LPL colors ranging from blue to cyan. Finally, based on the PL and LPL characteristics of the samples, a dynamic encryption anticounterfeiting application is described.
Ce3+由于其宽带发射特性,有潜力作为能量转移的供体离子,在材料中实现可能的高效可调多发射。然而,目前的相关研究主要集中在光致发光(PL)荧光粉上,而实现可调长持续发光(LPL)的研究,特别是在玻璃材料上的研究还不够。本文采用还原气氛下高温熔融法制备了Ce-Tb共掺硼铝酸盐玻璃。在Ce4+还原为Ce3+过程中诱导的氧空位陷阱的影响下,玻璃样品表现出明显的LPL,其中心波长为420 nm,中心波长为547 nm,与Ce3+离子的d-f跃迁和Tb3+离子的f-f跃迁相对应。合理的Ce3+掺杂量可以达到最佳的陷阱深度和浓度,从而提高LPL强度和持续时间。此外,它通过增强从Ce3+到Tb3+的能量转移来提高Tb3+的PL强度,从而使玻璃呈现出从蓝色到青色的可变LPL颜色。最后,根据样本的PL和LPL特性,描述了一种动态加密防伪应用。
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引用次数: 0
Improvement of forming quality, microstructure, and bio-tribological properties of additive manufactured Ti6Al4V with LaB6 addition 添加LaB6对Ti6Al4V成形质量、微观结构和生物摩擦学性能的改善
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2025-07-03 DOI: 10.1016/j.jre.2025.07.006
Dingding Xiang , Xiaoxin Leng , Liang Yan , Yutang Wang , Di Wang , Shu Wang , Zibin Chen , Xiaoshu Zhou
The poor wear resistance limits the applications of Ti6Al4V alloy. The additive manufactured Ti6Al4V alloy, particularly produced in the air, has issues with the poor forming quality. In this study, a rare earth compound (LaB6) was introduced to enhance both the forming quality and bio-tribological properties of Ti6Al4V alloy. The results show that adding an appropriate amount of LaB6 can reduce defects (pores). The microstructure is obviously refined due to pinning and heterogeneous nucleation effects, and the La2O3 and TiB are formed through the in-situ reactions. The sample with 4 wt% LaB6 addition exhibits excellent microhardness and bio-tribological properties. Grain refinement, dispersion strengthening and solution strengthening can significantly improve the microhardness, and the bio-tribological properties are further improved when combined with the in-situ network-structured hard TiB whisker (TiBw). This work is expected to provide reference suggestions for the development of additive manufactured titanium alloys and its application in implants.
较差的耐磨性限制了Ti6Al4V合金的应用。添加剂制造的Ti6Al4V合金,特别是在空气中生产,存在成形质量差的问题。为了提高Ti6Al4V合金的成形质量和生物摩擦学性能,本研究引入了稀土化合物LaB6。结果表明,加入适量的LaB6可以减少缺陷(孔隙)。由于钉钉和非均相成核作用,微观结构明显细化,La2O3和TiB是通过原位反应形成的。添加4 wt% LaB6的样品具有优异的显微硬度和生物摩擦学性能。晶粒细化、弥散强化和固溶强化可显著提高显微硬度,与原位网状硬TiB晶须(TiBw)结合可进一步提高生物摩擦学性能。本研究有望为增材钛合金的发展及其在植入体中的应用提供参考意见。
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引用次数: 0
Effects of Cu+ and Sc3+ codoping on luminescence and scintillation properties of Cs2LiYCl6:Ce single crystals Cu+和Sc3+共掺杂对Cs2LiYCl6:Ce单晶发光和闪烁性能的影响
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2025-01-04 DOI: 10.1016/j.jre.2025.01.005
Yuhao Zhang , Yufeng Tong , Lei Zong , Guohao Ren , Yuntao Wu
In this study, a batch of ϕ 12 mm Cs2LiYCl6:Ce crystals codoped with different contents of Cu+ and Sc3+ was successfully grown using the Multi-ampule Bridgeman method. A new emission peaking at 418 nm is found in the photoluminescence spectra of CLYC:Ce codoped with Cu+ ion. Codoping Cu+ or Sc3+ both increases the proportion of intrinsic self-trapped exciton (STE) luminescence, and extends the excitation band of Ce3+, especially in Cu+ codoped samples, where a new absorption peak at 248 nm can be identified. The light yield of Cu+ codoped samples remains largely unchanged, but the energy resolution shows a slight deterioration. Both light yield and energy resolution degrade after Sc3+ codoping, and the effect is much severe than that of Cu+ codoped samples. X-ray induced afterglow can be suppressed after Cu+ codoping and low content of Sc3+ codoping. The scintillation decay variation also depends on the codoping ions and their contents.
在本研究中,采用多安规Bridgeman法成功生长了一批φ 12 mm的Cs2LiYCl6:Ce晶体,其中共掺杂不同含量的Cu+和Sc3+。在Cu+离子共掺杂的CLYC:Ce的光致发光光谱中,在418 nm处发现了一个新的发射峰。共掺杂Cu+或Sc3+都增加了本征自困激子(STE)发光的比例,并延长了Ce3+的激发带,特别是在Cu+共掺杂的样品中,在248 nm处可以识别出新的吸收峰。Cu+共掺杂样品的光产率基本保持不变,但能量分辨率略有下降。Sc3+共掺杂后样品的光产率和能量分辨率均下降,且影响比Cu+共掺杂严重得多。Cu+共掺杂和低含量Sc3+共掺杂可以抑制x射线诱导余辉。闪烁衰减的变化还与共掺杂离子及其含量有关。
{"title":"Effects of Cu+ and Sc3+ codoping on luminescence and scintillation properties of Cs2LiYCl6:Ce single crystals","authors":"Yuhao Zhang ,&nbsp;Yufeng Tong ,&nbsp;Lei Zong ,&nbsp;Guohao Ren ,&nbsp;Yuntao Wu","doi":"10.1016/j.jre.2025.01.005","DOIUrl":"10.1016/j.jre.2025.01.005","url":null,"abstract":"<div><div>In this study, a batch of <em>ϕ</em> 12 mm Cs<sub>2</sub>LiYCl<sub>6</sub>:Ce crystals codoped with different contents of Cu<sup>+</sup> and Sc<sup>3+</sup> was successfully grown using the Multi-ampule Bridgeman method. A new emission peaking at 418 nm is found in the photoluminescence spectra of CLYC:Ce codoped with Cu<sup>+</sup> ion. Codoping Cu<sup>+</sup> or Sc<sup>3+</sup> both increases the proportion of intrinsic self-trapped exciton (STE) luminescence, and extends the excitation band of Ce<sup>3+</sup>, especially in Cu<sup>+</sup> codoped samples, where a new absorption peak at 248 nm can be identified. The light yield of Cu<sup>+</sup> codoped samples remains largely unchanged, but the energy resolution shows a slight deterioration. Both light yield and energy resolution degrade after Sc<sup>3+</sup> codoping, and the effect is much severe than that of Cu<sup>+</sup> codoped samples. X-ray induced afterglow can be suppressed after Cu<sup>+</sup> codoping and low content of Sc<sup>3+</sup> codoping. The scintillation decay variation also depends on the codoping ions and their contents.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"43 12","pages":"Pages 2637-2645"},"PeriodicalIF":7.2,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145594824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
First-principles study of structural stability and magnetic properties of Sm2Co17 rare earth permanent magnets doped with transition metal elements 掺杂过渡金属元素的Sm2Co17稀土永磁体结构稳定性和磁性能第一性原理研究
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2024-10-26 DOI: 10.1016/j.jre.2024.10.006
Cheng Fang , Zhi Yan , Xujin Zhang , Jianhua Xiao , Fang Wang , Xiaohong Xu
Previous studies have demonstrated that increasing Fe doping content can enhance the saturation magnetization and maximum energy product of 2:17-type Sm-Co rare-earth permanent magnets. However, systematic theoretical calculations and the effects of other transition metal dopants have yet to be explored. This study employed first-principles computational methods to investigate the effects of doping with 3d and Zr transition metal elements on the structural stability, magnetic properties, and electronic structure of Sm2Co17 permanent magnets. The results indicate that Sc and Zr tend to occupy the Sm-6c site, while Ni, Cu and Zn preferentially occupy the 18h site, and Ti, V, Cr, Mn and Fe primarily occupy the Co-6c site. Except for V and Cu, all other elements effectively improve the structural stability of the doped systems. Additionally, Mn and Fe doping can significantly enhance the total magnetic moment and magnetocrystalline anisotropy energies of the Sm2Co17 system, while Cr only increases the total magnetic moment. More importantly, doping with Cr, Mn and Fe within the doping content range of 9.8 at% < x < 35.29 at% can simultaneously improve the structural stability, total magnetic moment and magnetocrystalline anisotropy energy of the Sm2Co17 system. Our study provides valuable theoretical guidance for experimental exploration and is expected to promote the development and application of novel rare-earth permanent magnetic materials.
已有研究表明,增加Fe掺杂量可以提高2:17型Sm-Co稀土永磁体的饱和磁化强度和最大能积。然而,系统的理论计算和其他过渡金属掺杂的影响还有待探索。本研究采用第一性原理计算方法研究了掺杂3d和Zr过渡金属元素对Sm2Co17永磁体结构稳定性、磁性能和电子结构的影响。结果表明,Sc和Zr倾向于占据Sm-6c位点,Ni、Cu和Zn优先占据18h位点,Ti、V、Cr、Mn和Fe主要占据Co-6c位点。除V和Cu外,其他元素均能有效提高掺杂体系的结构稳定性。此外,Mn和Fe的掺杂可以显著提高Sm2Co17体系的总磁矩和磁晶各向异性能,而Cr只增加了总磁矩。更重要的是,在掺杂含量为9.8 at% < x <; 35.29 at%的范围内掺杂Cr、Mn和Fe,可以同时提高Sm2Co17体系的结构稳定性、总磁矩和磁晶各向异性能。本研究为实验探索提供了有价值的理论指导,有望促进新型稀土永磁材料的开发和应用。
{"title":"First-principles study of structural stability and magnetic properties of Sm2Co17 rare earth permanent magnets doped with transition metal elements","authors":"Cheng Fang ,&nbsp;Zhi Yan ,&nbsp;Xujin Zhang ,&nbsp;Jianhua Xiao ,&nbsp;Fang Wang ,&nbsp;Xiaohong Xu","doi":"10.1016/j.jre.2024.10.006","DOIUrl":"10.1016/j.jre.2024.10.006","url":null,"abstract":"<div><div>Previous studies have demonstrated that increasing Fe doping content can enhance the saturation magnetization and maximum energy product of 2:17-type Sm-Co rare-earth permanent magnets. However, systematic theoretical calculations and the effects of other transition metal dopants have yet to be explored. This study employed first-principles computational methods to investigate the effects of doping with 3d and Zr transition metal elements on the structural stability, magnetic properties, and electronic structure of Sm<sub>2</sub>Co<sub>17</sub> permanent magnets. The results indicate that Sc and Zr tend to occupy the Sm-6<em>c</em> site, while Ni, Cu and Zn preferentially occupy the 18<em>h</em> site, and Ti, V, Cr, Mn and Fe primarily occupy the Co-6<em>c</em> site. Except for V and Cu, all other elements effectively improve the structural stability of the doped systems. Additionally, Mn and Fe doping can significantly enhance the total magnetic moment and magnetocrystalline anisotropy energies of the Sm<sub>2</sub>Co<sub>17</sub> system, while Cr only increases the total magnetic moment. More importantly, doping with Cr, Mn and Fe within the doping content range of 9.8 at% &lt; <em>x</em> &lt; 35.29 at% can simultaneously improve the structural stability, total magnetic moment and magnetocrystalline anisotropy energy of the Sm<sub>2</sub>Co<sub>17</sub> system. Our study provides valuable theoretical guidance for experimental exploration and is expected to promote the development and application of novel rare-earth permanent magnetic materials.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"43 12","pages":"Pages 2682-2689"},"PeriodicalIF":7.2,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145594827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Ce3+ and Tb3+ ions substitution on structural, optical, dielectric, and electrical properties of Ca0.95Y0.05Fe12O19 M-type hexaferrite Ce3+和Tb3+离子取代对Ca0.95Y0.05Fe12O19 m型六铁体结构、光学、介电和电学性能的影响
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2024-12-12 DOI: 10.1016/j.jre.2024.12.007
Jayashri Mahapatro, Sadhana Agrawal
Here, the effect of cerium and terbium ions substitution on structural, optical, dielectric, and electrical properties of Ca0.95Y0.05Fe12O19 M-type hexaferrite prepared by solvent free method i.e., auto combustion method was reported. The X-ray diffraction technique was used for the structural examination. The hexagonal structure of the Ca0.95Y0.05CexTbxFe12–2xO19 samples is confirmed by X-ray diffraction (XRD) pattern analysis. The crystallite size of the Ca0.95Y0.05CexTbxFe12–2xO19 (x = 0.0, 0.5, 1.0, 1.5, and 2.0) samples ranges from 28.37 to 39.12 nm. The Fourier transform infrared spectroscopy (FTIR) spectra confirm the lattice vibration at the octahedral and tetrahedral sites. The strong emission peaks of 3.40 eV are seen at 364 nm. It is found that photoluminescence intensity reduces with Ce-Tb substitution, which is associated with a reduction in electron–hole recombination. In the temperature range of room temperature (23 °C) to 200 °C, the dielectric constant, dielectric loss, and AC conductivity were computed over a broad frequency range of 102–105 Hz. Maxwell–Wagner's two-layer model explains the frequency dependent dielectric behaviour of the Ca0.95Y0.05CexTbxFe12–2xO19 samples. The dielectric constant increases for the Ca0.95Y0.05CexTbxFe12–2xO19 samples as the Ce-Tb concentration increases up to x = 1.0, and with further increasing the Ce3+ and Tb3+ ions up to x = 2.0 the dielectric constant decreases. All of the Ca0.95Y0.05CexTbxFe12–2xO19 samples exhibit non-Debye type relaxation behaviour, according to the impedance measurement. The substitution of Ce3+ and Tb3+ ions reduces the grain boundary density, resulting in the low values of the impedance at the grain boundaries. It is found that the multiple hopping conduction process is the main mechanism in the Ca0.95Y0.05CexTbxFe12–2xO19 compounds.
本文报道了铈和铽离子取代对无溶剂法即自燃烧法制备Ca0.95Y0.05Fe12O19 m型六铁氧体结构、光学、介电和电学性能的影响。采用x射线衍射技术对其进行了结构检测。通过x射线衍射(XRD)分析证实了ca0.95 y0.05 5cextbxfe12 - 2xo19样品的六方结构。ca0.95 y0.05 5cextbxfe12 - 2xo19 (x = 0.0, 0.5, 1.0, 1.5和2.0)样品的晶粒尺寸范围为28.37 ~ 39.12 nm。傅里叶变换红外光谱(FTIR)证实了八面体和四面体位点的晶格振动。在364 nm处可见到3.40 eV的强发射峰。发现Ce-Tb取代后,光致发光强度降低,这与电子-空穴复合的减少有关。在室温(23°C)至200°C的温度范围内,在102-105 Hz的宽频率范围内计算介电常数、介电损耗和交流电导率。Maxwell-Wagner的双层模型解释了ca0.95 y0.05 5cextbxfe12 - 2xo19样品的频率相关介电行为。ca0.95 y0.05 5cextbxfe12 - 2xo19样品的介电常数随Ce-Tb浓度的增加而增加,当Ce-Tb浓度达到x = 1.0时,介电常数随Ce3+和Tb3+离子浓度的增加而减小。根据阻抗测量,所有ca0.95 y0.05 5cextbxfe12 - 2xo19样品均表现出非debye型弛豫行为。Ce3+和Tb3+离子的取代降低了晶界密度,导致晶界阻抗值较低。发现在ca0.95 y0.05 5cextbxfe12 - 2xo19化合物中,多重跳变传导过程是主要机制。
{"title":"Effect of Ce3+ and Tb3+ ions substitution on structural, optical, dielectric, and electrical properties of Ca0.95Y0.05Fe12O19 M-type hexaferrite","authors":"Jayashri Mahapatro,&nbsp;Sadhana Agrawal","doi":"10.1016/j.jre.2024.12.007","DOIUrl":"10.1016/j.jre.2024.12.007","url":null,"abstract":"<div><div>Here, the effect of cerium and terbium ions substitution on structural, optical, dielectric, and electrical properties of Ca<sub>0.95</sub>Y<sub>0.05</sub>Fe<sub>12</sub>O<sub>19</sub> M-type hexaferrite prepared by solvent free method i.e., auto combustion method was reported. The X-ray diffraction technique was used for the structural examination. The hexagonal structure of the Ca<sub>0.95</sub>Y<sub>0.05</sub>Ce<sub><em>x</em></sub>Tb<sub><em>x</em></sub>Fe<sub>12–2<em>x</em></sub>O<sub>19</sub> samples is confirmed by X-ray diffraction (XRD) pattern analysis. The crystallite size of the Ca<sub>0.95</sub>Y<sub>0.05</sub>Ce<sub><em>x</em></sub>Tb<sub><em>x</em></sub>Fe<sub>12–2<em>x</em></sub>O<sub>19</sub> (<em>x</em> = 0.0, 0.5, 1.0, 1.5, and 2.0) samples ranges from 28.37 to 39.12 nm. The Fourier transform infrared spectroscopy (FTIR) spectra confirm the lattice vibration at the octahedral and tetrahedral sites. The strong emission peaks of 3.40 eV are seen at 364 nm. It is found that photoluminescence intensity reduces with Ce-Tb substitution, which is associated with a reduction in electron–hole recombination. In the temperature range of room temperature (23 °C) to 200 °C, the dielectric constant, dielectric loss, and AC conductivity were computed over a broad frequency range of 10<sup>2</sup>–10<sup>5</sup> Hz. Maxwell–Wagner's two-layer model explains the frequency dependent dielectric behaviour of the Ca<sub>0.95</sub>Y<sub>0.05</sub>Ce<sub><em>x</em></sub>Tb<sub><em>x</em></sub>Fe<sub>12–2<em>x</em></sub>O<sub>19</sub> samples. The dielectric constant increases for the Ca<sub>0.95</sub>Y<sub>0.05</sub>Ce<sub><em>x</em></sub>Tb<sub><em>x</em></sub>Fe<sub>12–2<em>x</em></sub>O<sub>19</sub> samples as the Ce-Tb concentration increases up to <em>x</em> = 1.0, and with further increasing the Ce<sup>3+</sup> and Tb<sup>3+</sup> ions up to <em>x</em> = 2.0 the dielectric constant decreases. All of the Ca<sub>0.95</sub>Y<sub>0.05</sub>Ce<sub><em>x</em></sub>Tb<sub><em>x</em></sub>Fe<sub>12–2<em>x</em></sub>O<sub>19</sub> samples exhibit non-Debye type relaxation behaviour, according to the impedance measurement. The substitution of Ce<sup>3+</sup> and Tb<sup>3+</sup> ions reduces the grain boundary density, resulting in the low values of the impedance at the grain boundaries. It is found that the multiple hopping conduction process is the main mechanism in the Ca<sub>0.95</sub>Y<sub>0.05</sub>Ce<sub><em>x</em></sub>Tb<sub><em>x</em></sub>Fe<sub>12–2<em>x</em></sub>O<sub>19</sub> compounds.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"43 12","pages":"Pages 2758-2765"},"PeriodicalIF":7.2,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145594905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High-thermal-conductivity YAGG:Ce color converters on AlN substrate enabling high power and superior luminance in static and dynamic reflective laser illumination AlN衬底上的高导热YAGG:Ce颜色转换器,在静态和动态反射激光照明中实现高功率和卓越亮度
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2024-12-30 DOI: 10.1016/j.jre.2024.12.024
Jiaying Zheng , Jiao Liu , Gaohong Wu , Tengfei Tian , Haitao Wang , Jie Li , Weiwei Huan , Xiaojuan Liang , Weidong Xiang
Phosphor-in-glass (PiG) films have emerged as the preferred conversion materials for high-brightness laser-driven lighting due to their excellent thermal conductivity and superior optical performance. Screen printing technology was employed to investigate the correlation between the reflective layer thickness and light conversion efficiency. A multilayer-structured Y3Al3.5Ga1.5O12:Ce3+ (YAGG:Ce)-PiG-TiO2-aluminium nitride (AlN) film (YG-TAF) converter was constructed by efficiently coupling the optimal thickness of the reflective layer with the PiG layer and the AlN substrate. Notably, the YG-TAF shows an impressive thermal conductivity of 22.6 W/(m·K) and a maximum anti-laser power of 15.84 W, demonstrating superb thermal regulation capability. This anti-laser power of 15.84 W represents a breakthrough in current static laser performance research. Impressively, an YG-TAF phosphor color wheel was designed, which achieves an ultra-high-brightness 4375 lm of green light under 450 nm, 88 W laser power excitation, close to that of commercial phosphor silicone color wheels. This advancement not only demonstrates the excellent performance of YG-TAF in high-brightness dynamic reflective laser applications but also indicates its strong feasibility for practical implementation. Furthermore, the developed YAGG:Ce-Y1.31Ce0.09Gd1.6Al5O12-TAF spliced phosphor color wheel successfully mitigates the influence of photon reabsorption and achieves a color rendering index of 80.5, showing great potential for advancement of the field of reflective white light laser illumination.
由于其优异的导热性和优异的光学性能,玻璃中磷(PiG)薄膜已成为高亮度激光驱动照明的首选转换材料。采用丝网印刷技术研究了反射层厚度与光转换效率的关系。通过将最佳反射层厚度与氮化铝(AlN)薄膜和AlN衬底有效耦合,构建了多层结构的Y3Al3.5Ga1.5O12:Ce3+ (YAGG:Ce)-PiG- tio2 - AlN薄膜(YG-TAF)转化器。值得注意的是,YG-TAF的热导率为22.6 W/(m·K),最大抗激光功率为15.84 W,表现出出色的热调节能力。15.84 W的抗激光功率是当前静态激光性能研究的一个突破。设计了YG-TAF荧光粉色轮,在450 nm、88 W激光功率激发下,可发出4375 lm的超高亮度绿光,接近于商用荧光粉硅酮色轮。这一进展不仅证明了YG-TAF在高亮度动态反射激光应用中的优异性能,而且表明了其在实际应用中的可行性。此外,YAGG:Ce-Y1.31Ce0.09Gd1.6Al5O12-TAF拼接荧光粉色轮成功地减轻了光子重吸收的影响,显色指数达到80.5,在反射白光激光照明领域具有很大的发展潜力。
{"title":"High-thermal-conductivity YAGG:Ce color converters on AlN substrate enabling high power and superior luminance in static and dynamic reflective laser illumination","authors":"Jiaying Zheng ,&nbsp;Jiao Liu ,&nbsp;Gaohong Wu ,&nbsp;Tengfei Tian ,&nbsp;Haitao Wang ,&nbsp;Jie Li ,&nbsp;Weiwei Huan ,&nbsp;Xiaojuan Liang ,&nbsp;Weidong Xiang","doi":"10.1016/j.jre.2024.12.024","DOIUrl":"10.1016/j.jre.2024.12.024","url":null,"abstract":"<div><div>Phosphor-in-glass (PiG) films have emerged as the preferred conversion materials for high-brightness laser-driven lighting due to their excellent thermal conductivity and superior optical performance. Screen printing technology was employed to investigate the correlation between the reflective layer thickness and light conversion efficiency. A multilayer-structured Y<sub>3</sub>Al<sub>3.5</sub>Ga<sub>1.5</sub>O<sub>12</sub>:Ce<sup>3+</sup> (YAGG:Ce)-PiG-TiO<sub>2</sub>-aluminium nitride (AlN) film (YG-TAF) converter was constructed by efficiently coupling the optimal thickness of the reflective layer with the PiG layer and the AlN substrate. Notably, the YG-TAF shows an impressive thermal conductivity of 22.6 W/(m·K) and a maximum anti-laser power of 15.84 W, demonstrating superb thermal regulation capability. This anti-laser power of 15.84 W represents a breakthrough in current static laser performance research. Impressively, an YG-TAF phosphor color wheel was designed, which achieves an ultra-high-brightness 4375 lm of green light under 450 nm, 88 W laser power excitation, close to that of commercial phosphor silicone color wheels. This advancement not only demonstrates the excellent performance of YG-TAF in high-brightness dynamic reflective laser applications but also indicates its strong feasibility for practical implementation. Furthermore, the developed YAGG:Ce-Y<sub>1.31</sub>Ce<sub>0.09</sub>Gd<sub>1.6</sub>Al<sub>5</sub>O<sub>12</sub>-TAF spliced phosphor color wheel successfully mitigates the influence of photon reabsorption and achieves a color rendering index of 80.5, showing great potential for advancement of the field of reflective white light laser illumination.</div></div>","PeriodicalId":16940,"journal":{"name":"Journal of Rare Earths","volume":"43 12","pages":"Pages 2629-2636"},"PeriodicalIF":7.2,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145594823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electronic, magnetic, optical, and thermoelectric properties of rare earth-based CaCe2(S/Se)4 spinels for spintronic and energy harvesting applications 稀土基CaCe2(S/Se)4尖晶石用于自旋电子和能量收集的电子、磁性、光学和热电性质
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2025-02-25 DOI: 10.1016/j.jre.2025.02.017
A. Qadoos , Muhammad Rashid , Noura Dawas Alkhaldi , Nadi Mlihan Alresheedi , Imed Boukhris , Q. Mahmood , M.N. Nasir
Spinels are an emerging class of advanced technological materials for spintronic, energy harvesting, and water-splitting applications. In this work, we explored the electronic, magnetic, optical, and transport properties of CaCe2(S/Se)4 by density functional theory based on the Wien2k code. The energy released during optimization in ferromagnetic and antiferromagnetic states confirms that the ferromagnetic state is stable, which is further verified by negative formation energy. Heisenberg model and density of states report the Curie temperature and spin polarization. Half metallic ferromagnetism (HMF) regarding hybridization, crystal fields, exchange energies, and double exchange mechanisms is discussed. The transfer of magnetic moments from Ce to Ca and S/Se and interstitial sites ensure the role of spin of electrons rather than clustering. Moreover, the optical properties are addressed by dielectric constants, absorption, refraction, and optical loss. The first absorption peaks exist in infrared zone; others fall in visible to ultraviolet zones. The spin-up (↑) and spin-down (↓) channel thermoelectric factors combine and report the performance by conductivities, Seebeck coefficient, and power factor. Therefore, the studied materials' optical and thermoelectric behaviours will allow researchers to realize them for technological applications.
尖晶石是一类新兴的先进技术材料,用于自旋电子,能量收集和水分解应用。本文基于Wien2k编码,利用密度泛函理论研究了CaCe2(S/Se)4的电子、磁性、光学和输运性质。优化过程中铁磁态和反铁磁态释放的能量证实了铁磁态是稳定的,负地层能进一步验证了这一点。海森堡模型和态密度报告了居里温度和自旋极化。讨论了半金属铁磁性(HMF)的杂化、晶体场、交换能和双交换机制。磁矩从Ce到Ca、S/Se和间隙位的转移保证了电子的自旋作用而不是聚类作用。此外,光学性质由介电常数、吸收、折射和光损耗来确定。第一个吸收峰存在于红外区;其他则落在可见到紫外线的区域。自旋向上(↑)和自旋向下(↓)通道热电因子结合并通过电导率、塞贝克系数和功率因子报告性能。因此,研究材料的光学和热电行为将使研究人员能够实现它们的技术应用。
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引用次数: 0
Magnetic/fluorescent multi-functional PGMA@Fe3O4@SiO2@SiO2-Eu microspheres: A strategy of partitioning europium complex and Fe3O4 nanoparticles 磁性/荧光多功能PGMA@Fe3O4@SiO2@SiO2-Eu微球:铕配合物和Fe3O4纳米颗粒的分配策略
IF 7.2 1区 化学 Q1 CHEMISTRY, APPLIED Pub Date : 2025-12-01 Epub Date: 2024-12-27 DOI: 10.1016/j.jre.2024.12.019
Tianhao Xia , Yuwen Yuan , Yunpeng Wang , Pragati Awasthi , Wenkun Dong , Xusheng Qiao , Dong Chen , Shisheng Ling , Xianping Fan
This study aims to advance the development of magnetic fluorescent polymer microspheres for biomedical detection applications. Conventionally, dopants have utilized europium(III) (Eu(III)) organic complexes due to their high compatibility with polymers and strong fluorescence. However, as the common magnetic material Fe3O4 can quench their fluorescence, it is hard to synthesize Eu complex-doped magnetic fluorescent materials. To maintain fluorescence in the presence of magnetic parts, in this work, we synthesized Eu-doped magnetic microspheres with multi-layered structure. Firstly, poly-(glycidyl methacrylate) (PGMA) microspheres were prepared as templates and subsequently coated with layers of Fe3O4 and SiO2. Then, the synthesized Eu(TTA)3(TPPO)2 were added into PGMA@Fe3O4@SiO2 microspheres in either basic or acidic conditions, and covered them with an extra sol–gel layer of silica at the same time. The microspheres exhibit a core–shell structure with sub-micron dimensions (580 nm) and possess favorable superparamagnetic properties (Ms = 22.02 A⋅m2/kg, Mr = 1.37 A⋅m2/kg, Hc = 0.242 A/m). But the fluorescence of Eu3+ are significantly quenched by Fe3O4, O–H oscillators, and N–H oscillators. Finally, to exclude the quenching mentioned above, the first pure SiO2 shielding layer and the second Eu(TTA)3(TPPO)2-dispersed SiO2 layer were coated onto PGMA@Fe3O4 microspheres to prevent the energy transfer due to the quenching centers and hold the fluorescence of Eu3+. These findings underscore the considerable potential of these microspheres exhibiting rapid magnetic separation and stable fluorescence for bioimaging and biosensing applications.
本研究旨在推动磁性荧光聚合物微球在生物医学检测中的应用。传统上,掺杂剂利用铕(III) (Eu(III))有机配合物,由于其与聚合物的高相容性和强荧光。然而,由于常见的磁性材料Fe3O4会猝灭其荧光,因此很难合成掺杂Eu配合物的磁性荧光材料。为了在磁性部件存在的情况下保持荧光,在这项工作中,我们合成了具有多层结构的铕掺杂磁性微球。首先,制备聚甲基丙烯酸缩水甘油酯(PGMA)微球作为模板,然后在表面涂覆一层Fe3O4和SiO2。然后,将合成的Eu(TTA)3(TPPO)2分别在碱性或酸性条件下加入PGMA@Fe3O4@SiO2微球中,同时在微球表面额外覆盖一层溶胶-凝胶层。微球具有亚微米尺寸(580 nm)的核壳结构,具有良好的超顺磁性能(Ms = 22.02 a⋅m2/kg, Mr = 1.37 a⋅m2/kg, Hc = 0.242 a /m)。而Eu3+的荧光被Fe3O4、O-H振荡子和N-H振荡子显著猝灭。最后,为了排除上述猝灭现象,将第一层纯SiO2屏蔽层和第二层Eu(TTA)3(TPPO)2分散SiO2层涂覆在PGMA@Fe3O4微球上,以防止由于猝灭中心造成的能量转移,并保持Eu3+的荧光。这些发现强调了这些具有快速磁分离和稳定荧光的微球在生物成像和生物传感应用中的巨大潜力。
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Journal of Rare Earths
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