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The Physical and Superconducting Properties of Hexagonal YGa(_2) and YB(_2): A Comparative Ab-Initio Study 六方YGa (_2)和YB (_2)的物理和超导性质:比较Ab-Initio研究
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-27 DOI: 10.1007/s10948-025-07017-3
Cihan Parlak, Gürcan Yıldırım

This study investigates the properties of AlB(_{varvec{2}})-type YB(_{varvec{2}}) and YGa(_{varvec{2}}) compounds using density-functional theory, focusing on elastic constants, electronic structure, mechanical behavior, and electron–phonon (e-ph) coupling. The results, aligned with theoretical predictions, are compared with MgB(_{varvec{2}}) to assess their superconducting potential. YGa(_{varvec{2}}) has larger structural dimensions but lower phonon frequencies due to gallium’s higher atomic mass. YB(_{varvec{2}}), on the other hand, shows a higher critical temperature (5.59 K), attributed to its stronger e-ph coupling and higher density of states at the Fermi level. Shorter B-B bonds in YB(_{varvec{2}}) enhance its band structure and raise the Fermi energy. Both compounds are mechanically stable, with YB(_{varvec{2}}) exhibiting higher shear resistance and stronger covalent bonding. Additionally, YB(_{varvec{2}}) has a higher Debye temperature (779.75 K) and sound velocities, indicating superior mechanical properties. These findings underscore YB(_{varvec{2}})’s promise as a superconductor with favorable e-ph interactions compared to YGa(_{varvec{2}}).

本研究利用密度泛函理论研究了AlB (_{varvec{2}})型YB (_{varvec{2}})和YGa (_{varvec{2}})化合物的性质,重点研究了弹性常数、电子结构、力学行为和电子-声子(e-ph)耦合。结果与理论预测一致,并与MgB (_{varvec{2}})进行了比较,以评估它们的超导潜力。YGa (_{varvec{2}})具有较大的结构尺寸,但由于镓的原子质量较高,声子频率较低。另一方面,YB (_{varvec{2}})表现出更高的临界温度(5.59 K),这是由于它在费米能级上具有更强的e-ph耦合和更高的态密度。YB (_{varvec{2}})中较短的B-B键增强了能带结构,提高了费米能。两种化合物均具有机械稳定性,其中YB (_{varvec{2}})具有更高的抗剪切性能和更强的共价键。此外,YB (_{varvec{2}})具有较高的德拜温度(779.75 K)和声速,表明其具有优越的力学性能。这些发现强调了YB (_{varvec{2}})作为超导体的前景,与YGa (_{varvec{2}})相比,它具有良好的e-ph相互作用。
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引用次数: 0
Hall Effect and the Pseudogap in YBa(_{2})Cu(_{3})O(_{6+x}) YBa (_{2}) Cu (_{3}) O中的霍尔效应与赝隙(_{6+x})
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-26 DOI: 10.1007/s10948-025-07012-8
P. A. Sobocinski, O. J. de Freitas, F. Mesquita, P. Grande, J. Schaf, P. Pureur, T. Puig, X. Obradors

The Hall effect of several single crystal and thin-film samples of YBa(_{2})Cu(_{3})O(_{6+x}) with different carrier concentration was measured in the temperature interval from (T_{c}) to (T = 300 K). In this region, the Hall coefficient decreases exponentially with temperature according to a cut-off law where the characteristic parameter closely reproduces the pseudogap line when plotted as a function of the carrier concentration p. The strongly temperature-dependent Hall coefficient is interpreted in terms of the superposition of ordinary and anomalous Hall terms. The anomalous contribution is related to a Griffiths-type antiferromagnetic configuration that forms at the pseudogap line. The coefficients of the ordinary and anomalous terms show a complex dependence on the carrier concentration, suggesting the occurrence of a Fermi surface reconstruction at (papprox 0.14), where electron-type pockets are supposed to stabilize.

在(T_{c}) ~ (T = 300 K)温度区间内,测量了不同载流子浓度的YBa (_{2}) Cu (_{3}) O (_{6+x})单晶和薄膜样品的霍尔效应。在该区域,霍尔系数根据截断定律随温度呈指数下降,其中特征参数作为载流子浓度p的函数绘制时与伪间隙线密切相关。强烈依赖温度的霍尔系数可以用普通和异常霍尔项的叠加来解释。异常贡献与赝隙线上形成的格里菲斯型反铁磁构型有关。普通项和异常项的系数显示出对载流子浓度的复杂依赖,表明在(papprox 0.14)处发生费米表面重建,电子型口袋应该稳定。
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引用次数: 0
DFT Analysis of Sr₂GdMO₆ (M = Bi, Sb) Double Perovskites for Spintronics and UV Optoelectronics Sr₂GdMO₆(M = Bi, Sb)双钙钛矿自旋电子学和紫外光电子学的DFT分析
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-25 DOI: 10.1007/s10948-025-07011-9
Muhammad Zubair, Amir Ullah, Soufyane Belhachi, Nasir Rahman, Mudasser Husain, Khamael M. Abualnaja, Nourreddine Sfina, Muhammad Uzair, Muhammad Asif, Vineet Tirth, Muhammad Imran Saleem

This study uses a computational method called Density Functional Theory (DFT) to examine the structure, electronic, optical, elastic, and magnetic properties of Sr2GdMO6 (M = Bi or Sb). The calculations revealed that both materials have a cubic crystal structure with slightly different lattice constants. Volume optimization of Sr₂GdBiO₆ and Sr₂GdSbO₆ in PM, FM, and AFM states reveals that Sr₂GdBiO₆ stabilizes in a non-magnetic PM phase, while Sr₂GdSbO₆ favors a magnetic ground state. The magnetic behavior is influenced by the B-site cation, with Bi suppressing and Sb promoting magnetic ordering. Their electronic structures reveal that Sr2GdBiO6, have band gap 2.06 eV for spin-up and 2.18 eV for spin-down. Similarly, Sr2GdSbO6, have band gap 3.26 eV for spin-up and 3.40 eV for spin-down. Optical investigations have shown strong absorption in the ultraviolet region, with peaks at 3.75 eV for Sr2GdBiO6 and 4.15 eV for Sr2GdSbO6. The materials Sr2GdBiO6 and Sr2GdSbO6 have stable mechanical properties, with bulk moduli of 112.18 GPA and 143.235 GPA, respectively. They possess a significant magnetic moment of 7 Bohr magnetons per gadolinium atom, primarily due to the contribution of its 4f electrons, indicating their strong magnetic nature. To accurately account for the interactions between electrons in these materials, a specific parameter called the Hubbard parameter (U) was adjusted to 6 electron volts (eV) for the Gd-4f orbitals. These findings demonstrate their potential applications in spintronics, ultraviolet optoelectronics, and mechanical devices.

本研究使用一种称为密度泛函理论(DFT)的计算方法来研究Sr2GdMO6 (M = Bi或Sb)的结构、电子、光学、弹性和磁性。计算表明,两种材料都具有立方晶体结构,晶格常数略有不同。对Sr₂GdBiO₆和Sr₂GdSbO₆在PM、FM和AFM状态下的体积优化表明,Sr₂GdBiO₆稳定在非磁性PM相,而Sr₂GdSbO₆倾向于磁性基态。磁行为受b位阳离子的影响,Bi抑制磁有序,Sb促进磁有序。他们的电子结构表明,Sr2GdBiO6的带隙为2.06 eV,自旋为2.18 eV。同样,Sr2GdSbO6的自旋上带隙为3.26 eV,自旋下带隙为3.40 eV。光学研究表明Sr2GdBiO6和Sr2GdSbO6在紫外区有很强的吸收,其峰值分别为3.75 eV和4.15 eV。材料Sr2GdBiO6和Sr2GdSbO6具有稳定的力学性能,体积模量分别为112.18 GPA和143.235 GPA。它们具有显著的磁矩,每个钆原子有7个玻尔磁子,这主要是由于它的4f电子的贡献,表明它们的强磁性。为了准确地解释这些材料中电子之间的相互作用,一个叫做Hubbard参数(U)的特定参数被调整为Gd-4f轨道的6电子伏(eV)。这些发现证明了它们在自旋电子学、紫外光电子学和机械器件方面的潜在应用。
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引用次数: 0
Structural and Magnetocaloric Properties of La( _{0.7} )Ca( _{0.2} )Ba( _{0.1} )MnO( _{3} ) and La( _{0.7} )Ca( _{0.2} )Sr( _{0.1} )MnO( _{3} ) Manganites Obtained by the Solution Combustion Method 溶液燃烧法制备La ( _{0.7} ) Ca ( _{0.2} ) Ba ( _{0.1} ) MnO ( _{3} )和La ( _{0.7} ) Ca ( _{0.2} ) Sr ( _{0.1} ) MnO ( _{3} )锰酸盐的结构和磁热学性质
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-24 DOI: 10.1007/s10948-025-07008-4
Valeria Nástar, Sonia Gaona, Alejandra I. Guerrero

In this work, we studied the role of Ba and Sr substitutions on the structural, morphological, magnetic, and magnetocaloric properties of the La( _{0.7} )Ca( _{0.3} )MnO( _3 ) manganite. The La( _{0.7} )Ca( _{0.2} )Ba( _{0.1} )MnO( _{3} ) and La( _{0.7} )Ca( _{0.2} )Sr( _{0.1} )MnO( _{3} ) manganites were synthetized using the combustion method. FT-IR, X-ray diffraction, and magnetization measurements were performed to investigate the crystallographic structure and the magnetocaloric properties. The samples exhibit a ferromagnetic behavior, and the ferromagnetic-paramagnetic transition occurs around the room temperature. The critical temperatures are 298.5 K and 308.7 K for the LCBM and LCSM samples, respectively. The maxima values of magnetic entropy at a field of 3T are 1.64 J/Kg K and 2.08 J/Kg K for the LCBM and LCSM samples. The LCSM manganite shows a better magnetocaloric performance, which could be related to an enhancement of the double exchange interaction due to the shorter average bond length between Mn and O ions for this sample. These results are in agreement with those reported in the literature, highlighting that the solution combustion synthesis route presents potential advantages, such as a faster and simpler route for obtaining manganites.

在这项工作中,我们研究了Ba和Sr取代对La ( _{0.7} ) Ca ( _{0.3} ) MnO ( _3 )锰矿石的结构、形态、磁性和磁热性能的影响。采用燃烧法制备了La ( _{0.7} ) Ca ( _{0.2} ) Ba ( _{0.1} ) MnO ( _{3} )和La ( _{0.7} ) Ca ( _{0.2} ) Sr ( _{0.1} ) MnO ( _{3} )。通过FT-IR, x射线衍射和磁化测量来研究晶体结构和磁热性能。样品表现出铁磁行为,铁磁-顺磁转变发生在室温附近。LCBM和LCSM样品的临界温度分别为298.5 K和308.7 K。LCBM和LCSM样品在3T磁场下的磁熵最大值分别为1.64 J/Kg K和2.08 J/Kg K。LCSM锰矿表现出较好的磁热性能,这可能与该样品中Mn和O离子之间的平均键长较短,从而增强了双交换相互作用有关。这些结果与文献报道的结果一致,突出表明溶液燃烧合成路线具有潜在的优势,例如更快,更简单地获得锰矿石。
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引用次数: 0
“Remarkable Thermoelectric and Magnetic Properties of Anti-Perovskite MgCNi₃: A Pathway to Advanced Energy Conversion and Spintronics” 反钙钛矿MgCNi₃的显著热电磁性能:先进能量转换和自旋电子学的途径
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-20 DOI: 10.1007/s10948-025-07009-3
Zahid Ullah, Muhammad Amir Khan, Sabahat Gul, Muhammad Noman, Salim Ullah, Murtaza Shahab

This study employs first-principles calculations based on density functional theory (DFT) with the GGA + U and TB-mBJ approximations to examine the structural, electronic, magnetic, and thermoelectric properties of MgCNi₃. The results reveal that MgCNi₃ is a weak ferromagnetic and metallic material, characterized by strong covalent bonding and a net magnetic moment of 0.15 μB per formula unit. Spin-polarized calculations further indicate that the material exhibits a non-zero magnetization, with the spin-up and spin-down electron densities showing distinct distributions. The thermoelectric evaluation demonstrates remarkable energy conversion efficiency, with a significant Seebeck coefficient and high figure of merit (ZT) across temperatures ranging from 300 to 900 K. The ZT plot suggests that P-type doping may offer the best performance. These findings provide critical insights into the material’s potential for applications in thermoelectrics, superconductors, and spintronics, emphasizing its suitability for integration into advanced functional devices.

该研究采用基于密度泛函理论(DFT)的第一性原理计算,使用GGA + U和TB-mBJ近似来研究MgCNi₃的结构、电子、磁性和热电性质。结果表明,MgCNi₃是一种弱铁磁性金属材料,共价键强,净磁矩为0.15 μB /分子式单位。自旋极化计算进一步表明,材料表现出非零磁化,自旋向上和自旋向下的电子密度表现出明显的分布。热电评估显示出显著的能量转换效率,在300至900 K的温度范围内具有显著的塞贝克系数和高品质系数(ZT)。ZT图表明,p型掺杂可以提供最好的性能。这些发现为该材料在热电学、超导体和自旋电子学方面的应用潜力提供了重要见解,强调了其集成到先进功能器件中的适用性。
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引用次数: 0
Numerical Analysis of the Effects of Imbalance Chemical Potential and Interaction Strength on Wave-Induced Power in a Superfluid Fermi Gas 超流体费米气体中不平衡化学势和相互作用强度对波致功率影响的数值分析
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-18 DOI: 10.1007/s10948-025-07007-5
N. Ebrahimian, R. Afzali

When an ultracold fermionic superfluid gas becomes polarized, the system can undergo normal-superfluid phase separation. For a mass-balance polarized Fermi gas, the phase separation occurs under the Clogston–Chandrasekhar condition. Considering the separation, the relevant parameters of the system are calculated numerically. Using Bogoliubov coefficients and the density of states in the Fermi golden rule, we then investigate and discuss the effects of imbalance chemical potential and interaction strength on wave-induced power due to the time-dependent external wave at low temperatures on the BCS side of the BCS-BEC crossover.

当超冷费米子超流体气体极化时,系统可以进行正常的超流体相分离。对于质量平衡极化费米气体,相分离发生在Clogston-Chandrasekhar条件下。考虑分离,对系统的相关参数进行了数值计算。利用Bogoliubov系数和费米黄金定律中的态密度,我们研究并讨论了化学势和相互作用强度的不平衡对BCS- bec交叉的BCS侧低温时外部波引起的波致功率的影响。
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引用次数: 0
Effect of Surface Disorder on the Magnetization Analysis of Fe( _{3} )O( _{4 } ) Nanoparticles Above the Blocking Temperature 表面无序对阻断温度以上铁( _{3} ) O ( _{4 } )纳米颗粒磁化分析的影响
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-12 DOI: 10.1007/s10948-025-07004-8
Navneet Kaur, Nirbhay Singh

The magnetization vs applied magnetic field curves of Fe( _{3} )O( _{4 } ) measured from vibrating sample magnetometer and the particle size distribution determined from transmission electron micrographs are compared to investigate the influence of magnetic anisotropy and particle size distribution on the magnetization analysis. The sample of Fe( _{3} )O( _{4 } ) nanoparticles is prepared by a chemical method. The structural characterization of the sample reveals that it is a nanocrystalline single phase magnetite system. The transmission electron microscope studies show that the sample has narrow particle size distribution with mean particle size of 12 nm. The magnetic characterization of the sample is measured as a function of temperature and applied magnetic field. The field cooled and zero field cooled curves of Fe( _{3} )O( _{4 } ) nanoparticles are measured in the presence of 250 G applied magnetic field. The bifurcation temperature of the curves is found to be 182 K. The blocking temperature of the system is observed at 154 K from zero field cooled curve. The magnetization curves as a function of applied magnetic field at temperatures of 200, 250, and 300 K are measured (up to ( pm 10 ) kG). The analysis of magnetization curves is done by fitting these in a mathematical magnetic expression, which takes into account the combined effect of particle size distribution and magnetic anisotropy. The magnetic properties of this system are found to be affected by the presence of the magnetic disordered surface layer on the particles’ surface, which result into the increased interparticle interactions and enhanced surface anisotropy. These observations are discussed in detail.

通过对振动样品磁强计测得的Fe ( _{3} ) O ( _{4 } )磁化与外加磁场曲线和透射电子显微镜测得的Fe粒度分布进行比较,探讨了磁性各向异性和粒度分布对磁化分析的影响。采用化学方法制备了Fe ( _{3} ) O ( _{4 } )纳米颗粒样品。样品的结构表征表明其为纳米晶单相磁铁矿体系。透射电镜研究表明,样品粒径分布较窄,平均粒径为12 nm。样品的磁性表征是作为温度和外加磁场的函数来测量的。在250 G外加磁场作用下,测量了Fe ( _{3} ) O ( _{4 } )纳米粒子的场冷曲线和零场冷曲线。曲线的分岔温度为182k。从零场冷却曲线上观察到系统的阻塞温度为154 K。测量了200、250和300 K温度下外加磁场的磁化曲线(最高可达( pm 10 ) kG)。通过将磁化曲线拟合到考虑粒度分布和磁各向异性综合影响的磁性数学表达式中,对磁化曲线进行分析。发现该体系的磁性受到颗粒表面磁性无序表面层的影响,导致颗粒间相互作用增加,表面各向异性增强。对这些观察结果进行了详细的讨论。
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引用次数: 0
Proximity and Inverse Proximity Effects in Weyl Semimetal/s-Wave Superconductor Heterostructures Weyl半金属/s波超导体异质结构中的接近和逆接近效应
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-09 DOI: 10.1007/s10948-025-07005-7
Shouhu Yue, W. LiMing, Tao Zhou

Based on a microscopic model, we conducted a systematic theoretical study of the superconducting proximity effect and inverse proximity effect in heterostructures composed of Weyl semimetals (WSMs) and conventional s-wave superconductors. Through self-consistent calculations, we obtained the spatial distribution and symmetry properties of the superconducting order parameters. In the WSMs layer, the ( C_4 ) rotational symmetry and inversion symmetry of the superconducting order parameter are significantly broken, and the singlet-channel order parameter exhibits ( C_4 ) symmetry, containing both s-wave and d-wave components. By calculating the spectral functions and local density of states (LDOS) in the WSMs and conventional s-wave superconductors layers, we provided theoretical predictions that can be used to experimentally probe the proximity effects. In the conventional s-wave superconductors layer, the normal-state Fermi surface undergoes splitting due to interfacial coupling, with the degree of splitting increasing as the coupling strength grows, while an effective spin-orbit interaction term is induced. In the superconducting state, the original s-wave order parameter in the conventional s-wave superconductors is significantly suppressed, its symmetry is broken, and an additional d-wave pairing component is induced. These phenomena can be well understood by analyzing the Fermi surface characteristics of the original systems.

基于微观模型,对Weyl半金属(WSMs)和常规s波超导体异质结构中的超导邻近效应和逆邻近效应进行了系统的理论研究。通过自洽计算,得到了超导序参量的空间分布和对称性。在wsm层中,超导序参量的( C_4 )旋转对称性和反转对称性被明显打破,单重态通道序参量呈现( C_4 )对称性,同时包含s波和d波分量。通过计算wsm和常规s波超导体层中的谱函数和局域态密度(LDOS),我们提供了可用于实验探测邻近效应的理论预测。在常规s波超导体层中,由于界面耦合,正态费米表面发生分裂,分裂程度随着耦合强度的增加而增加,同时诱导出有效的自旋轨道相互作用项。在超导状态下,常规s波超导体中原有的s波序参量被显著抑制,其对称性被破坏,并诱导出一个额外的d波对分量。这些现象可以通过分析原始系统的费米表面特性来理解。
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引用次数: 0
Critical Magnetic Hysteresis Behaviors in a Mixed Spin-1 and Spin-7/2 Blume-Capel Ising System 自旋-1和自旋-7/2混合blme - capel系统的临界磁滞行为
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-06 DOI: 10.1007/s10948-025-06985-w
Ali Ismael Al-Brihy, Hasan F. Alturki

In this work, we investigate the magnetic properties and hysteresis behavior of a mixed spin-1 and spin-7/2 Blume–Capel (BC) Ising model via the mean field approximation (MFA) method, which is based on the Gibbs–Bogoliubov inequality for free energy. We study the system both in the presence and absence of an external magnetic field (h) and explore the appearance of compensation critical points for different crystal field D values when h = 0. The results indicate that there is a critical point of (D_B) = − 2.0, which promotes the appearance of compensation points, whereas (D_A) influences the value of the compensation points. The thermal behavior of the order parameters is analyzed across various crystal field values under multiple external field strengths at specific temperatures. Our results indicate that the system undergoes a second-order phase transition at h = 0, whereas first-order phase transitions occur for h > − 0.5. Only a single hysteresis loop exists for D = 0 and T < 8; however, triple and double hysteresis loops are observed when the crystal field conditions change, along with the emergence of a superparamagnetic phase at higher temperatures and at lower values of D.

本文采用基于Gibbs-Bogoliubov自由能不等式的平均场近似(MFA)方法,研究了自旋为1和自旋为7/2的混合blme - capel (BC) Ising模型的磁性和磁滞特性。我们研究了外加磁场(h)存在和不存在时的系统,并探索了h = 0时不同晶体场D值的补偿临界点的外观。结果表明,存在一个临界点(D_B) =−2.0,促进补偿点的出现,而(D_A)则影响补偿点的值。在特定温度下,分析了不同外场强度下不同晶体场值下序参量的热行为。结果表明,系统在h = 0时发生二阶相变,而在h &gt; - 0.5时发生一阶相变。当D = 0, T &lt; 8时,只存在一个滞回线;然而,当晶体场条件改变时,观察到三重和双磁滞回线,并在较高温度和较低D值下出现超顺磁相。
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引用次数: 0
Rare Earth Element-Doped Barium Hexaferrite Nanoparticles: Synthesis, Enhanced Magnetic Properties, and their Applications 稀土元素掺杂六铁体钡纳米颗粒:合成、增强磁性能及其应用
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-06-05 DOI: 10.1007/s10948-025-07003-9
K. Elaya Kumar, S. Muthulingam, M. Ayyar

The rare earth element-doped barium hexaferrite nanoparticles have drawn great interest towards researchers due to their improved thermal, magnetic, and structural characteristics. These properties make them appropriate for cutting-edge technological applications like shielding against electromagnetic interference, high-density data storage, and microwave absorption. Because of their distinct electronic configurations, rare earth metals like neodymium, strontium, Europium, and lanthanum change thermal stability, coercivity, and magnetic anisotropy when added to the barium hexaferrite lattice. This review examines the different synthesis methods for doping barium hexaferrite with rare earth ions, including sol–gel combustion, ball milling, and co-precipitation procedures, emphasizing the impact on the material’s structural, morphological, and magnetic properties. The different rare earth-doped barium hexaferrite particles resulting in various applications are also covered in this review.

Graphical Abstract

稀土元素掺杂的六铁体钡纳米颗粒由于其改进的热、磁和结构特性而引起了研究人员的极大兴趣。这些特性使它们适合于屏蔽电磁干扰、高密度数据存储和微波吸收等尖端技术应用。由于其独特的电子结构,稀土金属,如钕、锶、铕和镧,当加入到钡六铁氧体晶格中时,会改变热稳定性、矫顽力和磁各向异性。本文综述了掺杂稀土离子的六铁酸钡的不同合成方法,包括溶胶-凝胶燃烧、球磨和共沉淀法,重点介绍了对材料结构、形态和磁性能的影响。本文还介绍了各种掺稀土六铁体钡粒子的应用。图形抽象
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引用次数: 0
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