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Structural, magnetic, electronic, optical, thermoelectric, and magnetocaloric properties of Pb2NbFeO6: A density functional theory and Monte Carlo simulations Pb2NbFeO6的结构、磁性、电子、光学、热电和磁热性质:密度泛函理论和蒙特卡罗模拟
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-24 DOI: 10.1016/j.jmmm.2026.173875
M. Jerrari, R. Masrour
We employed Monte Carlo simulations in conjunction with density functional theory (DFT), using the GGA + SOC + U (Generalized Gradient Approximation with Spin-Orbit Coupling and Hubbard U correction) within the Wien2k framework, to investigate the structural, electronic, magnetic, optical, thermoelectric, and magnetocaloric characteristics of Pb2NbFeO6. Analysis of the density of states and band structures reveals ferromagnetic semiconducting behavior, with spin-up (L-Γ) and spin-down (L-Γ) indirect band gaps of 3.5 and 1.9 eV, respectively. Furthermore, the real part of the dielectric tensor shows a gradual increase, attaining a maximum at 3.3 eV, which reflects a strong polarization response within the visible spectrum, the imaginary component of the dielectric function exhibits a pronounced peak near 5 eV, reflecting strong optical absorption in the ultraviolet (UV) region, optical conductivity, absorption coefficient, optical reflectivity, refractive index, and extinction coefficient are examined. Computing the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, power factor, figure of merit, and Hall coefficient as functions of temperature is evaluated. We have calculated magnetization, susceptibility, magnetic entropy changes (−ΔS), adiabatic temperature changes (ΔT), and relative cooling power (RCP) using Monte Carlo simulation methods. From the simulation results, a critical temperature of 32 K and an exchange coupling constant of JFe–Fe = 16 K are obtained. These results indicate that double perovskite materials hold promise for potential use in solar cells and optoelectronic devices, as well as thermoelectric applications.
在Wien2k框架下,利用GGA + SOC + U(自旋-轨道耦合和Hubbard U校正的广义梯度近似),结合密度泛函理论(DFT),采用蒙特卡罗模拟方法研究了Pb2NbFeO6的结构、电子、磁性、光学、热电和磁热特性。态密度和能带结构分析显示了铁磁半导体特性,自旋向上(L-Γ)和自旋向下(L-Γ)的间接带隙分别为3.5 eV和1.9 eV。此外,介电张量的实部逐渐增大,在3.3 eV处达到最大值,反映了可见光谱内较强的极化响应;介电函数的虚部在5 eV附近有一个明显的峰值,反映了紫外区较强的光吸收,考察了光导率、吸收系数、反射率、折射率和消光系数。计算塞贝克系数、电导率、电子导热系数、功率因数、优值图和霍尔系数作为温度的函数进行评估。我们使用蒙特卡罗模拟方法计算了磁化率、磁化率、磁熵变化(−ΔS)、绝热温度变化(ΔT)和相对冷却功率(RCP)。从模拟结果可以得到临界温度为32 K,交换耦合常数为JFe-Fe = 16 K。这些结果表明,双钙钛矿材料在太阳能电池、光电器件以及热电应用中具有潜在的应用前景。
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引用次数: 0
Magnetic properties and cryogenic magnetocaloric performances in Gd2NbLaO7 compound Gd2NbLaO7化合物的磁性和低温磁热性能
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-08 DOI: 10.1016/j.jmmm.2026.173826
Xijia Chen, Junmiao Lin, Xiaoli Gong, Liyao Zhu, Lingwei Li
A number of Gd-incorporated magnetic solids have been recently determined with respect to their magnetocaloric performances, which are attempted to identify candidate magnetocaloric materials for cryogenic magnetic refrigeration (MR) application and unveil their intrinsic magneto-thermal properties. We herein synthesized the single-phased Gd2NbLaO7 compound by a solid-state reaction method and experimentally unveiled its structural, chemical states, magnetic, and magnetocaloric properties. The Gd2NbLaO7 compound is crystallized in an orthorhombic structure with C2221 space group. The consistent elementals in Gd2NbLaO7 compound all distribute uniformly and with the valence states as Gd3+, Nb5+, La3+, and O2−, respectively. Large reversible cryogenic magnetocaloric effects with notable performances in Gd2NbLaO7 compound were realized. The maximum magnetic entropy change and refrigerant capacity/relative cooling power (magnetic field variation of 0–7 T) of Gd2NbLaO7 compound are identified to be 35.18 J kg−1 K−1 and 248.42/330.51 J kg−1, respectively, which surpass most of recently updated Gd-incorporated magnetic solids with notable magnetocaloric performances, making present Gd2NbLaO7 compound also considerable for cryogenic MR applications.
最近,研究人员测定了一些含有gd的磁性固体的磁热性能,试图确定用于低温磁制冷(MR)应用的候选磁热材料,并揭示其固有的磁热性能。本文采用固相反应法合成了单相Gd2NbLaO7化合物,并通过实验揭示了其结构、化学状态、磁性和磁热学性质。Gd2NbLaO7化合物结晶为具有C2221空间基的正交晶型结构。Gd2NbLaO7化合物中一致元素分布均匀,价态分别为Gd3+、Nb5+、La3+和O2−。在Gd2NbLaO7化合物中实现了具有显著性能的大可逆低温磁热效应。Gd2NbLaO7化合物的最大磁熵变化和制冷剂容量/相对冷却功率(0-7 T的磁场变化)分别为35.18 J kg - 1 K - 1和248.42/330.51 J kg - 1,超过了最近更新的大多数具有显着磁热性能的gd掺杂磁性固体,使该化合物在低温MR应用中也相当可观。
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引用次数: 0
Improvement in magnetic, optical and dielectric behavior on erbium addition to Mg0.5Mn0.5Fe2O4 for device applications 在器件应用中,添加铒改善了Mg0.5Mn0.5Fe2O4的磁性、光学和介电性能
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-12 DOI: 10.1016/j.jmmm.2026.173832
Gorachand Biswal , Babita Ojha , Varsa Purohit , Rakesh Ranjan Sahoo , Dhrubananda Behera , Deba Nirmalya Das
The ferrite samples Mg0.5Mn0.5Fe2-xErxO4 (x = 0, 0.02, 0.04, 0.06, 0.1) prepared using the solid-state route were evaluated for microwave absorption applications. X-ray diffraction with Rietveld refinement revealed multiphase characteristics and the coexistence of a spinel phase with an orthorhombic phase attributed to the larger Er3+ ionic radius. The SEM analysis of rare earth-doped spinel ferrites reveals that grain size and porosity are significantly influenced by doping concentration, which in turn strongly affect the dielectric and magnetic properties. AFM indicated high surface roughness. The favourable figures of dielectric constant and loss factor recorded at frequency variation makes the material suitable in high frequency performances. The Er modified ferrites possessing a broad range of relaxation period can interact and effectively absorb an extended range of spectrum from the microwave frequency range. UV–Vis spectroscopy demonstrated an increase in the optical forbidden band gap from 1.06 eV to 2.30 eV after doping of erbium, enhancing light absorption. The combined improvements in optical, dielectric, and thermal properties confirm that Er-modified ferrites are promising candidates for high-frequency, high-temperature microwave absorbing applications. The increase of coercivity with respect to doping concentration may be attributed to the anisotropy due to the strong spin orbit coupling of Er3+.
利用固态法制备的铁素体样品Mg0.5Mn0.5Fe2-xErxO4 (x = 0, 0.02, 0.04, 0.06, 0.1),对其微波吸收性能进行了评价。采用Rietveld细化的x射线衍射显示了该材料的多相特征,并且由于Er3+离子半径较大,尖晶石相与正交相共存。稀土掺杂尖晶石铁氧体的SEM分析表明,掺杂浓度对晶粒尺寸和孔隙率有显著影响,进而强烈影响其介电性能和磁性能。AFM显示表面粗糙度高。在频率变化时记录的介电常数和损耗因数的良好数字使材料适合于高频性能。铒修饰铁氧体具有较宽的弛豫周期,可以相互作用并有效吸收微波频率范围内较宽的频谱。紫外可见光谱显示掺铒后的禁带隙从1.06 eV增加到2.30 eV,增强了光吸收。光学、介电和热性能的综合改进证实了铒修饰铁氧体是高频、高温微波吸收应用的有前途的候选者。随着掺杂浓度的增加,矫顽力的增加可能是由于Er3+的强自旋轨道耦合引起的各向异性。
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引用次数: 0
Magnetic Properties and Magnetocaloric Effect in Tb (Fe1-x Mnx)2 Compounds for x = 0, 0.12 x = 0,0.12时Tb (Fe1-x Mnx)2化合物的磁性能和磁热效应
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-16 DOI: 10.1016/j.jmmm.2026.173853
Omar H. El-Talkhawy , Samy H. Aly , Sherif Yehia , Fatema Z. Mohammad
In this work, we present a mean-field study using the two-sublattice model to investigate the magnetothermal and magnetocaloric properties of Tb (Fe1-x Mnx)2 compounds with x = 0 and 0.12. Specifically, we have calculated the magnetization, heat capacity, entropy, isothermal entrop change ΔSm and adiabatic temperature change ∆Tad. This study investigates the aforementioned properties at temperatures up to 900 K and magnetic fields up to 5 T. Additionally, we report the relative cooling powers (RCP) in a 5 T field. We have used the Wien2k code to calculate the electron density of states (DOS) for TbFe2. The maximum values obtained, for TbFe2, for ΔSm, ∆Tad, RCP(S) and RCP(T) for a field change of 5 T are 2.37 J/mol. K, 3.05 K, 410 J/mol. and 1070 K2, respectively. The Curie temperatures of the compounds with x = 0 and x = 0.12 are 694 and 626 K respectively. The maximum magnetic entropy, in zero fields, for these two compounds is about 40 J/mol. K. The electronic γe = 0.018 J/mol. K2 for the x = 0 compound. The nature of the phase transition was analyzed, as well, using the universal curve and Belov-Arrott plots. The scaling exponent n is found to be fairly close to n = 2/3 for second order phase transitions described by the mean-field model. It has been confirmed that the transition is a second-order phase transition in both compounds.
在这项工作中,我们提出了一个使用双亚晶格模型的平均场研究,研究了x = 0和0.12时Tb (Fe1-x Mnx)2化合物的磁热和磁热性质。具体来说,我们计算了磁化强度、热容、熵、等温熵变ΔSm和绝热温度变化∆Tad。本研究在温度高达900 K和磁场高达5 T的情况下研究了上述性质。此外,我们报告了在5 T磁场下的相对冷却功率(RCP)。我们使用Wien2k代码计算了TbFe2的电子态密度(DOS)。当电场变化为5 T时,TbFe2、ΔSm、∆Tad、RCP(S)和RCP(T)的最大值为2.37 J/mol。3.05 K, 410 J/mol。和1070k2。x = 0和x = 0.12时化合物的居里温度分别为694 K和626 K。在零场中,这两种化合物的最大磁熵约为40 J/mol。K.电子γe = 0.018 J/mol。对于x = 0的化合物,K2。利用通用曲线和Belov-Arrott图分析了相变的性质。发现平均场模型描述的二阶相变的标度指数n相当接近n = 2/3。结果表明,两种化合物的相变均为二级相变。
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引用次数: 0
Influence of vanadium doping and rapid quenching on phase stability and magnetic properties of τ-MnAl alloys 钒掺杂和快速淬火对τ-MnAl合金相稳定性和磁性能的影响
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-18 DOI: 10.1016/j.jmmm.2026.173851
A.S. Fortuna , K.S. Nechaev , N.M. Vazhinskii , M.V. Gorshenkov , D.Yu. Karpenkov
This paper focuses on the determination of the influence of V on the stability, magnetic properties, and features of phase transitions in Mn55-xA42+xV3 alloys (x = 0, 2, and 4), both in the cast and rapidly quenched states. It has been shown that vanadium decreases the stability of the ferromagnetic τ-phase. The feasibility of directly producing the τ-phase through rapid quenching has been confirmed by achieving a high proportion of the τ-phase, approximately 90 vol%, in the Mn53Al44V3 as-quenched alloy. Additionally, the Curie temperature of this alloy has been determined to exhibit hysteresis during heating and subsequent cooling. Based on these findings, it was suggested that Mn53Al44V3 undergoes a first-order magnetic phase transformation. Based on the experimental data, a Mn-Al-V phase diagram for alloys with a vanadium concentration of 3% and a manganese concentration of 51–55% has been proposed, and a diagram of the dependence of the phase composition in rapidly quenched ribbons on the composition of Mn55-xA42+xV3 has been constructed.
本文重点研究了V对Mn55-xA42+xV3合金(x = 0、2和4)铸态和快速淬火态稳定性、磁性能和相变特征的影响。结果表明,钒降低了铁磁τ相的稳定性。通过在Mn53Al44V3淬火合金中获得较高的τ相比例(约90 vol%),证实了通过快速淬火直接产生τ相的可行性。此外,该合金的居里温度在加热和随后的冷却过程中表现出滞后。结果表明,Mn53Al44V3发生了一级磁相变。根据实验数据,提出了钒浓度为3%、锰浓度为51 ~ 55%合金的Mn-Al-V相图,并构建了快速淬火带中相组成与Mn55-xA42+xV3组成的关系图。
{"title":"Influence of vanadium doping and rapid quenching on phase stability and magnetic properties of τ-MnAl alloys","authors":"A.S. Fortuna ,&nbsp;K.S. Nechaev ,&nbsp;N.M. Vazhinskii ,&nbsp;M.V. Gorshenkov ,&nbsp;D.Yu. Karpenkov","doi":"10.1016/j.jmmm.2026.173851","DOIUrl":"10.1016/j.jmmm.2026.173851","url":null,"abstract":"<div><div>This paper focuses on the determination of the influence of V on the stability, magnetic properties, and features of phase transitions in Mn<sub>55-x</sub>A<sub>42+x</sub>V<sub>3</sub> alloys (x = 0, 2, and 4), both in the cast and rapidly quenched states. It has been shown that vanadium decreases the stability of the ferromagnetic τ-phase. The feasibility of directly producing the τ-phase through rapid quenching has been confirmed by achieving a high proportion of the τ-phase, approximately 90 vol%, in the Mn<sub>53</sub>Al<sub>44</sub>V<sub>3</sub> as-quenched alloy. Additionally, the Curie temperature of this alloy has been determined to exhibit hysteresis during heating and subsequent cooling. Based on these findings, it was suggested that Mn<sub>53</sub>Al<sub>44</sub>V<sub>3</sub> undergoes a first-order magnetic phase transformation. Based on the experimental data, a Mn-Al-V phase diagram for alloys with a vanadium concentration of 3% and a manganese concentration of 51–55% has been proposed, and a diagram of the dependence of the phase composition in rapidly quenched ribbons on the composition of Mn<sub>55-x</sub>A<sub>42+x</sub>V<sub>3</sub> has been constructed.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"641 ","pages":"Article 173851"},"PeriodicalIF":3.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Magnetic interactions in defective ZnFe2O4. A density functional theory study 缺陷ZnFe2O4的磁相互作用。密度泛函理论研究
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-12 DOI: 10.1016/j.jmmm.2026.173835
Jhon J. Melo Quintero , Azucena M. Mudarra Navarro , Victoria I. Fernández , C.E. Rodríguez Torres , Leonardo A. Errico
Ferrites (spinel structure, MFe2O4) are one of the richest and most studied oxide groups due to their multiple and interesting physical properties and wide applications. Particularly, Zn2+Fe3+2O4 has been largely studied but its magnetic structure is still unresolved. To contribute to the understanding of its magnetic nature we present here a theoretical study of the role of defects (oxygen vacancies, cationic inversion) on the magnetic interactions in Zn-ferrite. ZnFe2O4 adopts the normal spinel structure where Zn2+ cations are placed at the 8a tetrahedral (A) sites and Fe3+ populates the 16d octahedral (B) sites. Using first-principles calculations based on Density Functional Theory (DFT) and the supercell approach, the energy of multiple magnetic configurations for reduced (ZnFe2O4-δ), partially inverted, (Zn1-xFex)[ZnxFe2-x]O4, and partially inverted and reduced, (Zn1-xFex)[ZnxFe2-x]O4-δ, Zn-ferrite were calculated and then mapped to a classical Heisenberg spin model to obtain the magnetic exchange couplings Jn up to fifth neighbours. Compared with pristine and normal ZnFe2O4, where the interactions Fe(site B)–Fe(site B) up to fifth neighbours (JBBi) are antiferromagnetic, in the case of ZnFe2O4-δ the interaction at second neighbours is ferromagnetic. In the case of (Zn1-xFex)[Fe2-xZnx]O4 and (Zn1-xFex)[ZnxFe2-x]O4-δ the interactions Fe(site A)-Fe(site B) resulted to be significantly stronger than JBBi. Moreover, the first-neighbour interaction is predicted to be ferromagnetic, while at second neighbours it is antiferromagnetic and dominant. Our results show that ZnFe2O4 constitutes a delicate magnetic system, where competing magnetic interactions can be easily affected by defects and highlight its crucial role in promoting different magnetic responses, enabling us to explain the ferrimagnetic response observed at room-temperature in ZnFe2O4 nanoparticles and thin films.
铁素体(尖晶石结构,MFe2O4)由于其多种有趣的物理性质和广泛的应用而成为最丰富和研究最多的氧化物基团之一。特别是对Zn2+Fe3+2O4的研究较多,但其磁性结构尚未确定。为了有助于理解其磁性性质,我们在这里提出了缺陷(氧空位,阳离子反转)在锌铁氧体中磁相互作用中的作用的理论研究。ZnFe2O4采用正常尖晶石结构,其中Zn2+阳离子位于8a四面体(A)位,Fe3+位于16d八面体(B)位。利用基于密度泛函理论(DFT)和超级单体方法的第一性原理计算方法,计算了还原态(ZnFe2O4-δ)、部分倒转态(Zn1-xFex)[ZnxFe2-x]O4-δ、部分倒转还原态(Zn1-xFex)[ZnxFe2-x]O4-δ、zn -铁氧体的多重磁构型的能量,并将其映射到经典的Heisenberg自旋模型中,得到了磁性交换耦合Jn的第五邻域。与原始和正常的ZnFe2O4相比,其中Fe(位B) -Fe(位B)至第5邻域(JBBi)的相互作用是反铁磁性的,在ZnFe2O4-δ的情况下,第二邻域的相互作用是铁磁性的。对于(Zn1-xFex)[Fe2-xZnx]O4和(Zn1-xFex)[ZnxFe2-x]O4-δ, Fe(位点A)-Fe(位点B)的相互作用明显强于JBBi。此外,预测第一相邻相互作用是铁磁性的,而第二相邻相互作用是反铁磁性的,占主导地位。我们的研究结果表明,ZnFe2O4构成了一个微妙的磁系统,其中竞争性磁相互作用很容易受到缺陷的影响,并突出了其在促进不同磁响应方面的关键作用,使我们能够解释室温下ZnFe2O4纳米颗粒和薄膜中观察到的铁磁响应。
{"title":"Magnetic interactions in defective ZnFe2O4. A density functional theory study","authors":"Jhon J. Melo Quintero ,&nbsp;Azucena M. Mudarra Navarro ,&nbsp;Victoria I. Fernández ,&nbsp;C.E. Rodríguez Torres ,&nbsp;Leonardo A. Errico","doi":"10.1016/j.jmmm.2026.173835","DOIUrl":"10.1016/j.jmmm.2026.173835","url":null,"abstract":"<div><div>Ferrites (spinel structure, MFe<sub>2</sub>O<sub>4</sub>) are one of the richest and most studied oxide groups due to their multiple and interesting physical properties and wide applications. Particularly, Zn<sup>2+</sup>Fe<sup>3+</sup><sub>2</sub>O<sub>4</sub> has been largely studied but its magnetic structure is still unresolved. To contribute to the understanding of its magnetic nature we present here a theoretical study of the role of defects (oxygen vacancies, cationic inversion) on the magnetic interactions in Zn-ferrite. ZnFe<sub>2</sub>O<sub>4</sub> adopts the normal spinel structure where Zn<sup>2+</sup> cations are placed at the <em>8a</em> tetrahedral (<em>A</em>) sites and Fe<sup>3+</sup> populates the <em>16d</em> octahedral (<em>B</em>) sites. Using first-principles calculations based on Density Functional Theory (DFT) and the supercell approach, the energy of multiple magnetic configurations for reduced (ZnFe<sub>2</sub>O<sub>4-<em>δ</em></sub>), partially inverted, (Zn<sub>1-<em>x</em></sub>Fe<sub><em>x</em></sub>)[Zn<sub><em>x</em></sub>Fe<sub>2-<em>x</em></sub>]O<sub>4</sub>, and partially inverted and reduced, (Zn<sub>1-<em>x</em></sub>Fe<sub><em>x</em></sub>)[Zn<sub><em>x</em></sub>Fe<sub>2-<em>x</em></sub>]O<sub>4-<em>δ</em></sub>, Zn-ferrite were calculated and then mapped to a classical Heisenberg spin model to obtain the magnetic exchange couplings <em>J</em><sub><em>n</em></sub> up to fifth neighbours. Compared with pristine and normal ZnFe<sub>2</sub>O<sub>4</sub>, where the interactions Fe(site B)–Fe(site B) up to fifth neighbours (<em>J</em><sup><em>BB</em></sup><sub><em>i</em></sub>) are antiferromagnetic, in the case of ZnFe<sub>2</sub>O<sub>4-<em>δ</em></sub> the interaction at second neighbours is ferromagnetic. In the case of (Zn<sub>1-<em>x</em></sub>Fe<sub><em>x</em></sub>)[Fe<sub>2-<em>x</em></sub>Zn<em>x</em>]O<sub>4</sub> and (Zn<sub>1-<em>x</em></sub>Fe<sub><em>x</em></sub>)[Zn<sub><em>x</em></sub>Fe<sub>2-<em>x</em></sub>]O<sub>4-<em>δ</em></sub> the interactions Fe(site A)-Fe(site B) resulted to be significantly stronger than <em>J</em><sup><em>BB</em></sup><sub><em>i</em></sub>. Moreover, the first-neighbour interaction is predicted to be ferromagnetic, while at second neighbours it is antiferromagnetic and dominant. Our results show that ZnFe<sub>2</sub>O<sub>4</sub> constitutes a delicate magnetic system, where competing magnetic interactions can be easily affected by defects and highlight its crucial role in promoting different magnetic responses, enabling us to explain the ferrimagnetic response observed at room-temperature in ZnFe<sub>2</sub>O<sub>4</sub> nanoparticles and thin films.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"641 ","pages":"Article 173835"},"PeriodicalIF":3.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","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 Dy and Tb addition on the structural, thermal and magnetic properties of Nd33Fe67 melt spun alloys 添加Dy和Tb对Nd33Fe67熔体纺丝合金组织、热、磁性能的影响
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-03 DOI: 10.1016/j.jmmm.2025.173797
S. Naveen Rajkumar , Akshaya Senthilkumar , D. Arvindha Babu , M. Manivel Raja , Elangovan Hemaprabha
In this study, the effect of Dy and Tb addition on structural, thermal and magnetic properties of Nd33Fe67 melt spun ribbons was studied with an aim to stabilize Nd5Fe17 phase and increase coercivity. Dy and Tb addition led to the formation of partial amorphous phase along with crystalline phases of Nd2Fe17 and Nd(Fe) solid solution phases at low concentrations (up to Dy = Tb = 4 at.%) and DyFe2/TbFe2 phases also form beyond Dy = Tb = 6 at.%. While annealing at 350 °C results in partial formation of the equilibrium Nd5Fe17 phase along with other existing phases i.e. amorphous, Nd2Fe17 and Nd(Fe) solid solution, annealing at 670 °C results in only equilibrium Nd5Fe17, Nd(Fe) solid solution, and DyFe2/TbFe2 phases. The Curie temperature of amorphous phase increases with increasing Dy/Tb content for low concentration of Dy/Tb and it decreases for high Dy/Tb concentration. Presence of Dy/Tb atoms in the amorphous phase causes FeFe distance to change and influences the exchange interaction thereby affecting the Curie temperature. Presence of amorphous phase having large random anisotropy, Nd2Fe17 phase having high anisotropy and DyFe2/TbFe2 having high anisotropy in Dy/Tb added as spun alloys result in increased coercivity as compared to the alloy having no Dy/Tb. Annealing at 350 °C showed a trend of increasing coercivity with Dy/Tb due to the presence of three hard magnetic phases i.e. amorphous, Nd2Fe17 and DyFe2/TbFe2 phases along with soft magnetic Nd5Fe17 phase. Annealing at 670 °C resulted in the formation of soft magnetic Nd5Fe17 phase along with hard magnetic DyFe2/TbFe2 phases which showed lowest coercivity observed across all alloys. Dy/Tb addition decreases magnetization in all samples due to their anti-parallel interaction with the amorphous matrix and the ferrimagnetic contribution of DyFe2/TbFe2 phases.
本研究以稳定Nd5Fe17相和提高矫顽力为目的,研究了添加Dy和Tb对Nd33Fe67熔体纺带结构、热、磁性能的影响。在低浓度(Dy = Tb = 4 at)下,添加Dy和Tb可形成Nd2Fe17的部分非晶相和Nd(Fe)固溶体相。%)和DyFe2/TbFe2相也在Dy = Tb = 6at .%以上形成。在350℃退火时,部分形成Nd5Fe17平衡相以及其他相,即非晶相、Nd2Fe17和Nd(Fe)固溶体,而在670℃退火时,只形成Nd5Fe17、Nd(Fe)固溶体和DyFe2/TbFe2平衡相。低Dy/Tb浓度时,非晶相居里温度随Dy/Tb含量的增加而升高,高Dy/Tb浓度时居里温度降低。在非晶相中存在Dy/Tb原子,使FeFe距离发生变化,影响交换作用,从而影响居里温度。与不添加Dy/Tb的合金相比,添加Dy/Tb的合金中存在具有大随机各向异性的非晶态相、具有高各向异性的Nd2Fe17相和具有高各向异性的DyFe2/TbFe2相,使得矫顽力增加。在350℃退火时,由于存在三种硬磁相,即非晶相、Nd2Fe17相和DyFe2/TbFe2相以及软磁相Nd5Fe17,合金的矫顽力随Dy/Tb的增加而增加。670℃退火形成软磁Nd5Fe17相和硬磁DyFe2/TbFe2相,其矫顽力在所有合金中最低。由于Dy/Tb与非晶基体的反平行相互作用以及DyFe2/TbFe2相的铁磁贡献,使得所有样品的磁化强度都降低。
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引用次数: 0
A novel broken wire localization method for bridge cables based on multi-component magnetic flux leakage testing 基于多分量漏磁检测的桥梁电缆断线定位新方法
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-09 DOI: 10.1016/j.jmmm.2026.173817
Huanze Liu , Lingsi Sun , Runyu Wang , Yiqing Zou , Xinjun Wu
Bridge cables, as one of the critical load-bearing elements in cable-stayed bridges, are prone to hidden internal defects that are difficult to detect. In conventional magnetic flux leakage (MFL) testing, the magnetic field decays rapidly with depth, which hinders defect localization. To overcome this limitation, this study proposes a defect localization method based on multi-component MFL signals. Based on the magnetic dipole model (MDM) of a single broken wire, the spatial-domain summation preprocessing in the circumferential direction is proposed to enhance weak responses. For axial localization, cross-validation of the summed differential axial component and the radial component improves robustness. In addition, an asymmetric peak–valley full width at half-maximum (APV-FWHM) feature is introduced for depth localization, which reduces amplitude dependence and decouples depth localization from circumferential positioning. In order to validate the method, an experimental platform for bridge cable based on MFL testing was established. Experimental validation on a PECS7–127 cable successfully detected all broken-wire defects at depths of up to 42 mm with a 95% confidence interval of 97.9–100%. The axial localization results from different components indicated strong consistency, reaching 94.9% accuracy within a ± 5 mm tolerance. In addition, circumferential defect regions were effectively identified, and radial localization achieved 97.7% accuracy when a tolerance of ±1 layer was permitted. These findings provide preliminary validation of the feasibility and reliability of the proposed method for testing and localizing a single broken wire defect in bridge cables using multi-component MFL signals.
桥梁缆索作为斜拉桥的关键承重构件之一,其内部容易存在难以检测的隐性缺陷。在传统的漏磁检测中,磁场随深度快速衰减,不利于缺陷的定位。为了克服这一局限性,本研究提出了一种基于多分量MFL信号的缺陷定位方法。基于单根断线的磁偶极子模型(MDM),提出了环向的空间域和预处理,以增强弱响应。对于轴向定位,交叉验证的总和微分轴分量和径向分量提高鲁棒性。此外,引入非对称峰谷半最大全宽(APV-FWHM)特征进行深度定位,降低了振幅依赖性,并将深度定位与周向定位解耦。为了验证该方法的有效性,建立了基于MFL测试的桥索实验平台。在PECS7-127电缆上的实验验证成功地检测了深度达42 mm的所有断线缺陷,95%置信区间为97.9-100%。不同部件的轴向定位结果具有较强的一致性,在±5mm的公差范围内,精度达到94.9%。此外,可以有效识别周向缺陷区域,当允许误差为±1层时,径向定位精度达到97.7%。这些发现初步验证了所提出的方法的可行性和可靠性,该方法使用多分量MFL信号来测试和定位桥式电缆中的单根断线缺陷。
{"title":"A novel broken wire localization method for bridge cables based on multi-component magnetic flux leakage testing","authors":"Huanze Liu ,&nbsp;Lingsi Sun ,&nbsp;Runyu Wang ,&nbsp;Yiqing Zou ,&nbsp;Xinjun Wu","doi":"10.1016/j.jmmm.2026.173817","DOIUrl":"10.1016/j.jmmm.2026.173817","url":null,"abstract":"<div><div>Bridge cables, as one of the critical load-bearing elements in cable-stayed bridges, are prone to hidden internal defects that are difficult to detect. In conventional magnetic flux leakage (MFL) testing, the magnetic field decays rapidly with depth, which hinders defect localization. To overcome this limitation, this study proposes a defect localization method based on multi-component MFL signals. Based on the magnetic dipole model (MDM) of a single broken wire, the spatial-domain summation preprocessing in the circumferential direction is proposed to enhance weak responses. For axial localization, cross-validation of the summed differential axial component and the radial component improves robustness. In addition, an asymmetric peak–valley full width at half-maximum (APV-FWHM) feature is introduced for depth localization, which reduces amplitude dependence and decouples depth localization from circumferential positioning. In order to validate the method, an experimental platform for bridge cable based on MFL testing was established. Experimental validation on a PECS7–127 cable successfully detected all broken-wire defects at depths of up to 42 mm with a 95% confidence interval of 97.9–100%. The axial localization results from different components indicated strong consistency, reaching 94.9% accuracy within a ± 5 mm tolerance. In addition, circumferential defect regions were effectively identified, and radial localization achieved 97.7% accuracy when a tolerance of ±1 layer was permitted. These findings provide preliminary validation of the feasibility and reliability of the proposed method for testing and localizing a single broken wire defect in bridge cables using multi-component MFL signals.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"641 ","pages":"Article 173817"},"PeriodicalIF":3.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of different scanning strategies on the magnetocaloric effect and mechanical properties of La(Fe,Si)13-based alloys prepared by selective laser melting 不同扫描策略对选择性激光熔融法制备La(Fe,Si)13基合金磁热效应和力学性能的影响
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-16 DOI: 10.1016/j.jmmm.2026.173850
Bo-Yu Song , Li-Quan Wang , Yong-Quan Han , Juan Cheng , Tao Chen , Xiang Jin , Jiao-Hong Huang
Room-temperature magnetic refrigeration is a new type of solid-state refrigeration technology. As refrigerants, La (Fe, Si)13-based alloys have become candidate refrigeration materials because of their considerable magnetocaloric effect and adjustable Curie temperature, but their inherent brittleness yields severe limitations. Selective laser melting (SLM) technology in additive manufacturing could solve the problems associated with the formation and processing of materials. In this study, La(Fe, Al, Si)13 alloys were prepared via SLM technology, and the effects of different scanning strategies on the surface morphology, microstructure, magnetocaloric properties and mechanical properties were systematically analysed. The results revealed that the content of the 1:13 main phase is highest in the sample formed through the interlayer rotation 67° scanning strategy, the maximum magnetic entropy change can reach 8.07 J/(kg · K), and the compressive strength and hardness are greatest. This strategy provides a shorter laser scanning path and easily achieves a consistent solidification rate, thus effectively reducing stress concentration, which is conducive to the application of magnetic refrigeration technology.
室温磁制冷是一种新型的固态制冷技术。作为制冷剂,La (Fe, Si)13基合金因其可观的磁热效应和可调节的居里温度而成为候选的制冷材料,但其固有的脆性导致了严重的局限性。增材制造中的选择性激光熔化(SLM)技术可以解决与材料形成和加工相关的问题。本研究采用SLM技术制备了La(Fe, Al, Si)13合金,系统分析了不同扫描策略对合金表面形貌、显微组织、磁热性能和力学性能的影响。结果表明:层间旋转67°扫描形成的试样中,1:13主相含量最高,磁熵变化最大可达8.07 J/(kg·K),抗压强度和硬度最大;该策略提供了较短的激光扫描路径,易于实现一致的凝固速率,从而有效降低应力集中,有利于磁制冷技术的应用。
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引用次数: 0
Quantum teleportation and entanglement via quantum channels in bimetallic Fe2Cu2 based on spin-1/2 Ising-Heisenberg chain model 基于自旋1/2 Ising-Heisenberg链模型的双金属Fe2Cu2中量子通道的量子隐形传态和纠缠
IF 3 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-24 DOI: 10.1016/j.jmmm.2026.173869
Mustapha Ait Lamine, Hamid Ez-Zahraouy
This paper investigates quantum teleportation and entanglement in polymeric bimetallic Fe2Cu2 coordination compounds, employing the exactly solvable spin-1/2 Ising-Heisenberg model. Using the transfer-matrix method, we systematically analyze how the anisotropy parameter Δ affects quantum entanglement and teleportation fidelity through Heisenberg spin dimers functioning as quantum channels. Additionally, we analytically calculate the channel concurrence, output state concurrence, formation entanglement, fidelity, and average fidelity as functions of temperature, magnetic field, and anisotropy for different input states, with comprehensive thermomagnetic phase diagrams identifying regions of quantum advantage. Our analysis reveals that Δ governs the fundamental balance between entanglement capacity and magnetic thermal robustness. Consequently, the strongly anisotropic regime is very stable, retaining quantum advantage even at high temperatures and strong magnetic fields due to improved longitudinal correlations, whereas the isotropic case reaches the best teleportation fidelity at low temperatures and weak fields. The results indicate demonstrate that maximally entangled input states consistently outperform partially entangled states. These findings establish that magnetic coordination polymers with tunable anisotropy constitute promising platforms for quantum communication applications, offering a balance between operational fidelity and environmental robustness.
本文采用精确可解自旋1/2的伊辛-海森堡模型,研究了聚合物双金属Fe2Cu2配位化合物中的量子隐形传态和纠缠。利用传递矩阵方法,系统分析了各向异性参数Δ如何通过海森堡自旋二聚体作为量子通道影响量子纠缠和隐形传态保真度。此外,我们分析计算了不同输入态的通道并发性、输出态并发性、形成纠缠、保真度和平均保真度作为温度、磁场和各向异性的函数,并使用综合热磁相图识别量子优势区域。我们的分析表明Δ控制着纠缠能力和磁热鲁棒性之间的基本平衡。因此,强各向异性状态非常稳定,即使在高温和强磁场下也能保持量子优势,这是由于纵向相关性的改善,而各向同性状态在低温和弱磁场下也能达到最佳的隐形传态保真度。结果表明,最大纠缠输入态的性能始终优于部分纠缠输入态。这些发现表明,具有可调各向异性的磁配位聚合物构成了量子通信应用的有前途的平台,在操作保真度和环境鲁棒性之间提供了平衡。
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引用次数: 0
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Journal of Magnetism and Magnetic Materials
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