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Peak Effect and Fishtail Effect in SmBa2Cu3O7-y Single Crystal SmBa2Cu3O7-y单晶中的峰效应和鱼尾效应
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-22 DOI: 10.1007/s10948-025-07068-6
L. Zhang, S. Y. Ding, Y. P. Sun, X. Yao

Magnetic measurements in different thermal-magnetic cycles were carried out on a SmBa2Cu3O7-y single crystal with high critical current density. Two magnetization peaks were simultaneously observed on this strongly pinned sample in different thermal cycles. It was observed that a large and broad maximum on magnetization curves manifested only on a single magnetic field dependent magnetization M-H curve but not on a single zero-field cooling temperature dependent magnetization M-T curve, which was usually defined as fishtail effect (FE). The FE was an irreversible property mainly originated from strong pinning centers. On the other hand, the much smaller magnetization peak manifested only on field cooling M-T curves, which was reversible peak effect (PE). The PE took place at higher temperatures near vortex solid–liquid transition and may be caused by dense and weak pinning centers.

对具有高临界电流密度的SmBa2Cu3O7-y单晶进行了不同热磁循环下的磁测量。在不同的热循环条件下,在强钉住的样品上同时观察到两个磁化峰。磁化曲线上的大而宽的最大值只出现在单个磁场相关的磁化M-H曲线上,而不出现在单个零场冷却温度相关的磁化M-T曲线上,这通常被定义为鱼尾效应(FE)。FE是一种不可逆性质,主要源于强钉钉中心。另一方面,磁场冷却M-T曲线上出现了小得多的磁化峰,为可逆峰效应(PE)。PE发生在靠近漩涡固液转变的较高温度下,可能是由于钉钉中心密集而薄弱造成的。
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引用次数: 0
Flux Pinning and Levitation Stability in SiC-Doped MgB₂ Superconductors Prepared by Spark Plasma Sintering 火花等离子烧结sic掺杂MgB 2超导体的磁钉钉和悬浮稳定性
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-22 DOI: 10.1007/s10948-025-07067-7
Hasan Ağıl

In this study, MgB₂ bulk superconductors doped with 0–20% wt SiC were synthesized via in‑situ Spark Plasma Sintering (SPS), and their physical and magnetic properties were systematically investigated. Resistivity–temperature (ρT) and H–T phase diagram analyses revealed that while increasing SiC content reduces the transition temperature (Tc) and broadens the transition width (ΔTc), it simultaneously enhances flux pinning and magnetic stability through a dual mechanism. Specifically, partial decomposition of SiC at 850 °C leads to carbon substitution in the MgB₂ lattice, increasing electron scattering and creating effective lattice distortions, while residual SiC nanoparticles and Mg₂Si secondary phases act as volumetric and intergranular pinning centers. Critical current density (Jc) and normalized pinning force (Fp/Fp,max) analyses confirmed strong pinning performance, particularly at 10–15% wt doping levels, where both Jc and Hirr were maximized. Vertical and lateral levitation force measurements under zero‑field‑cooled (ZFC) and field‑cooled (FC) conditions further demonstrated that the 15% wt sample exhibited the most stable flux trapping capacity, maintaining strong magnetic response even near the superconducting transition. Notably, the sample with 5% wt SiC addition exhibited the highest critical current density of 1.08 × 106 A/cm2 at 20 K under self-field, confirming the effectiveness of optimized doping for high-performance applications.These results confirm that controlled SiC doping and SPS processing effectively tailor MgB₂ bulk superconductors for high‑performance magnetic and levitation applications.

本研究采用原位放电等离子烧结(SPS)法制备了掺0 ~ 20% wt SiC的MgB 2块体超导体,并对其物理和磁性能进行了系统的研究。电阻率-温度(ρ-T)和H-T相图分析表明,SiC含量的增加在降低转变温度(Tc)和扩大转变宽度(ΔTc)的同时,通过双重机制增强了磁钉钉和磁稳定性。具体来说,SiC在850℃下的部分分解导致MgB 2晶格中的碳取代,增加了电子散射并产生了有效的晶格畸变,而残余的SiC纳米颗粒和Mg 2 Si二次相则充当了体积和晶间钉钉中心。临界电流密度(Jc)和归一化钉扎力(Fp/Fp,max)分析证实了较强的钉扎性能,特别是在10-15% wt掺杂水平下,Jc和Hirr均达到最大。在零场冷却(ZFC)和场冷却(FC)条件下的垂直和横向悬浮力测量进一步表明,15% wt样品表现出最稳定的磁捕获能力,即使在超导转变附近也保持强磁响应。值得注意的是,添加5% wt SiC的样品在20 K自场下表现出最高的临界电流密度,为1.08 × 106 A/cm2,证实了优化掺杂在高性能应用中的有效性。这些结果证实,可控的SiC掺杂和SPS处理有效地为高性能磁性和悬浮应用定制MgB 2块体超导体。
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引用次数: 0
V. J. Emery and P. W. Anderson’s Views and Related Issues Regarding the Basics of Cuprates: A Re-Look V. J.埃默里和P. W.安德森关于铜的基本原理的观点及相关问题:再看
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-21 DOI: 10.1007/s10948-025-07065-9
Navinder Singh

In 1991, V. J. Emery in his important review article entitled “Some aspects of the theory of high temperature superconductors” (Emery, Phys. B: Condens. Matter. 169, 17–25 1991) argued against the Zhang-Rice reduction of three-band to an effective one-band model. In his words “...therefore it seems that the simple (t-J) model does not account for the properties of high temperature superconductors”. Over approximately 35 years after the initial debates much has happened in the field pertaining to this topic. Even though it is one of the most discussed issue, a comprehensive account and the required resolution are lacking. Connected to the debate over one-band versus three-band models is another discussion: the one-component versus two-component model for cuprates. The two-component model is most strongly advocated by Barzykin and Pines (Adv. Phys. 58, 1–65 2009). In this article the author attempts a perspective and a re-look on some of these issues. After an analysis of a large body of literature, author finds that V. J. Emery’s criticism of the Zhang-Rice reduction was correct. Many central experimental features of cuprates cannot be rationalized within the one-band model, and Johnston-Nakano scaling is one such example. Other examples are also discussed. Author introduces a simple-minded toy model to illustrate the core issues involved.

1991年,v·j·埃默里在他题为“高温超导体理论的某些方面”的重要评论文章中(埃默里,物理学家;B:是的。Matter. 169, 17-25 1991)反对Zhang-Rice将三波段减少为有效的一波段模型。用他的话来说“……因此,简单的(t-J)模型似乎不能解释高温超导体的性质。在最初的辩论之后大约35年的时间里,与这个主题相关的领域发生了很多事情。尽管这是讨论最多的问题之一,但缺乏全面的解释和必要的解决办法。与单波段模型和三波段模型的争论相关的是另一个讨论:铜的单组分模型和双组分模型。双组分模型是Barzykin和Pines (Adv. Phys. 58,1 - 65 2009)最强烈提倡的。在本文中,笔者试图对其中的一些问题进行透视和重新审视。通过对大量文献的分析,笔者发现埃默里对张米缩减的批评是正确的。铜酸盐的许多中心实验特征不能在单波段模型中合理化,johnson - nakano缩放就是这样一个例子。本文还讨论了其他一些例子。作者介绍了一个简单的玩具模型来说明所涉及的核心问题。
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引用次数: 0
Spin Canting-Induced Ferromagnetism and Optical Properties of Nanorod-Structured Ba₂FeMnO₆ Synthesized via Solid-State Reaction 固相反应合成纳米棒结构Ba₂FeMnO₆的自旋诱导铁磁性和光学性质
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-18 DOI: 10.1007/s10948-025-07058-8
Senthilkumar C, Iswarya M, Winfred Shashikanth F

This study investigates the structural, optical, and magnetic properties of double perovskites (DP) structured Ba₂FeMnO₆ (BFMO) synthesized via the solid-state reaction method. Rietveld refinement of X-ray diffraction data confirms the formation of a cubic structure with space group Fm-3 m (#225) and high phase purity. Fourier Transform Infrared (FTIR) spectroscopy verifies the presence of metal–oxygen bonding. UV–Vis spectroscopy and Tauc plot analysis determine an optical band gap of 2.1 ± 0.01 eV. Magnetic measurements reveal room-temperature weak ferromagnetic (FM) behavior. These findings highlight BFMO's potential for room temperature spintronic applications.

研究了固相法合成双钙钛矿(DP)结构Ba₂FeMnO₆(BFMO)的结构、光学和磁性能。x射线衍射数据的Rietveld细化证实了具有空间群fm - 3m(#225)和高相纯度的立方结构的形成。傅里叶变换红外光谱(FTIR)证实了金属-氧键的存在。紫外可见光谱和tac图分析确定光学带隙为2.1±0.01 eV。磁测量揭示了室温弱铁磁(FM)的行为。这些发现突出了BFMO在室温自旋电子应用方面的潜力。
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引用次数: 0
Development of Ferromagnetic Properties in Al2O3 System by Ga doping, Ag Ion Beam Irradiation, and Magnetic (Fe, Co) Ion Beam Implantation Ga掺杂、Ag离子束辐照和磁性(Fe, Co)离子束注入对Al2O3体系铁磁性能的影响
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-17 DOI: 10.1007/s10948-025-07066-8
C. B. Nettar, R. N. Bhowmik

Development of wide band gap semiconductor with ferromagnetic properties over a wide temperature range is a long standing demand for their applications in multifunctional spintronic devices. We present ferromagnetic semiconductor properties in Al2O3 system, which is electrically an insulator and non-magnet, by modifying lattice structure and lattice defects in the process of non-magnetic Ga ion doping, Ag ion beam irradiation, and implantation of ferromagnetic (Fe, Co) metal ions in bulk and thin film samples. The samples in Rhombohedral structure (R (overline{3 }) c space group) were used for studying structural, electrical, optical and magnetic properties. X-ray photoelectron spectroscopy was used for information of the surface chemical state (elemental composition, chemical bonding, charge state of the ions, defects and vacancy) of the samples. The SRIM (Stopping and Range of Ions in Matter) calculations were used to estimate the ion-beam induced defects. The optical band gap values in the range of 3.6–4.5 eV confirmed wide band gap semiconductor nature of the samples. The ferromagnetic properties at room temperature were confirmed through magneto-optic Kerr effect (surface magnetic coercivity 530–850 Oe) and dc magnetic measurement (bulk magnetic coercivity 25–106 Oe and saturated magnetization 0.09–37 memu/g). The enhancement of ferromagnetic properties in Al2O3 based samples have been understood in terms of defect induced local spin order at the surface and bulk structure of the samples, activated during material synthesis.

开发具有宽温度范围铁磁特性的宽带隙半导体是多功能自旋电子器件应用的长期需求。通过对非磁性镓离子掺杂、Ag离子束辐照、铁磁性(Fe, Co)金属离子注入等过程中的晶格结构和晶格缺陷进行修饰,研究了具有电绝缘体和非磁性的Al2O3体系的铁磁性半导体性能。采用菱形体结构(R (overline{3 }) c空间群)的样品进行了结构、电学、光学和磁学性能的研究。利用x射线光电子能谱分析样品的表面化学状态(元素组成、化学键、离子的电荷状态、缺陷和空位)。用SRIM(物质中离子的停止和范围)计算来估计离子束诱导的缺陷。光学带隙值在3.6 ~ 4.5 eV范围内,证实了样品的宽带隙半导体性质。通过磁光克尔效应(表面矫顽力530 ~ 850 Oe)和直流磁测量(体矫顽力25 ~ 106 Oe,饱和磁化强度0.09 ~ 37 memu/g)验证了室温下的铁磁性能。在基于Al2O3的样品中,铁磁性能的增强已经被理解为在材料合成过程中激活的缺陷引起的表面局部自旋顺序和样品的体结构。
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引用次数: 0
Anomalous Proximity Effect Under Andreev and Majorana Bound States Andreev和Majorana束缚态下的异常邻近效应
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-08 DOI: 10.1007/s10948-025-07057-9
Eslam Ahmed, Yukio Tanaka, Jorge Cayao

We theoretically study the anomalous proximity effect in a clean normal metal/disordered normal metal/superconductor junction based on a Rashba semiconductor nanowire model. The system hosts two distinct phases: a trivial helical phase with zero-energy Andreev bound states and a topological phase with Majorana bound states. We analyze the local density of states and induced pair correlations at the edge of the normal metal region. We investigate their behavior under scalar onsite disorder and changing the superconductor and disordered region lengths in the trivial helical and topological phases. We find that both phases exhibit a zero-energy peak in the local density of states and spin-triplet pair correlations in the clean limit, which we attribute primarily to odd-frequency spin-triplet pairs. Disorder rapidly splits the zero-energy peak in the trivial helical phase regardless of the lengths of the superconductor and disordered normal regions. The zero-energy peak in the topological phase shows similar fragility when the superconductor region is short. However, for long superconductor regions, the zero-energy peak in the topological phase remains robust against disorder. In contrast, spin-singlet correlations are suppressed near zero energy in both phases. Our results highlight that the robustness of the zero-energy peak against scalar disorder, contingent on the superconductor region length, serves as a key indicator distinguishing trivial Andreev bound states from topological Majorana bound states.

基于Rashba半导体纳米线模型,从理论上研究了干净的正常金属/无序的正常金属/超导体结中的异常接近效应。该系统具有两个不同的相:一个具有零能量Andreev束缚态的平凡螺旋相和一个具有Majorana束缚态的拓扑相。我们分析了正常金属区域边缘的局部态密度和诱导对相关。我们研究了它们在标量场无序下的行为,以及在平凡的螺旋相和拓扑相中改变超导体和无序区长度。我们发现这两个相在局域态密度和净极限下的自旋-三重态对相关中都表现出零能量峰值,我们将其主要归因于奇频自旋-三重态对。无论超导体和无序正常区域的长度如何,无序都能在平凡的螺旋相中迅速分裂零能峰。当超导体区域较短时,拓扑相中的零能峰也表现出类似的脆弱性。然而,对于长超导体区域,拓扑相中的零能量峰对无序仍然是稳健的。相反,自旋-单重态相关在两个相中都被抑制在接近零能量。我们的研究结果强调了零能量峰对标量无序的鲁棒性,这取决于超导体区域的长度,这是区分平凡Andreev束缚态和拓扑Majorana束缚态的关键指标。
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引用次数: 0
Quantum Entanglement and Phase Transitions in XY Model with a Transverse Magnetic Field 具有横向磁场的XY模型中的量子纠缠和相变
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-07 DOI: 10.1007/s10948-025-07060-0
Qinghui Li, Panpan Zhang, Hongbing Li, Yuliang Xu, Xiangmu Kong

In this paper, we use the quantum renormalization group method to study the quantum entanglement and phase transitions of the XY system with the transverse magnetic field and discuss the relations between the entanglement and the magnetic field B, the anisotropy parameter (gamma ), and particle number N. The quantum phase transition point of the system can be found through the strange behavior entangled at a certain point, and the relationship between the entanglement and the critical exponent of the correlation length can also be found. The results show that when the magnetic field is fixed, there is a maximum value of entanglement at the critical point (gamma =0), and with the increase of the number of iterations, the maximum value of entanglement gradually increases and approaches one. In addition, we find that (gamma ) has an inhibiting effect on entanglement, and B has a promoting effect on entanglement. At the thermodynamic limit, entanglement exists only at the critical point, in the region where (gamma ne 0), the system corresponds to the Ising-like phase, and at (gamma =0), it corresponds to the spin liquid phase. By studying the entanglement derivatives, we also find that there are two extreme values of the first derivative, and with the increase of the number of iterations, the extreme point gradually approaches the critical point. The first derivative of the entanglement exhibits a nonanalytic behavior at the critical point, indicating that the system has a second-order phase transition. Finally, the scaling behavior of entanglement at the critical point is detected, and the critical exponent of entanglement equals one.

本文利用量子重整化群方法研究了XY体系在横向磁场作用下的量子纠缠和相变,讨论了纠缠与磁场B、各向异性参数(gamma )、粒子数n之间的关系,通过某一点上纠缠的奇异行为可以找到体系的量子相变点。并得到了纠缠度与相关长度临界指数之间的关系。结果表明,当磁场固定时,在临界点(gamma =0)处存在一个最大的纠缠值,并且随着迭代次数的增加,纠缠值逐渐增大,接近于1。另外,我们发现(gamma )对缠结有抑制作用,B对缠结有促进作用。在热力学极限下,纠缠只存在于临界点处,在(gamma ne 0)处,系统对应于类伊辛相,在(gamma =0)处,系统对应于自旋液相。通过研究纠缠导数,我们还发现一阶导数存在两个极值,并且随着迭代次数的增加,极值点逐渐接近临界点。纠缠度的一阶导数在临界点处表现出非解析行为,表明系统具有二阶相变。最后,检测了纠缠在临界点处的尺度行为,得到纠缠的临界指数为1。
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引用次数: 0
Advancing Theranostics with CoFe2O4 Nanoparticles: Comprehensive Approaches to Synthesis, Biofunctionalization, and Their Potential in Precision Medicine and Targeted Therapeutic Applications 推进CoFe2O4纳米颗粒的治疗:合成、生物功能化的综合方法及其在精准医学和靶向治疗应用中的潜力
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-07 DOI: 10.1007/s10948-025-07047-x
Rabiya Riffath Syed Altaf, Puruchothaman Venkatesan, Naveen Palani, Keren Celestina Mendonce, Agilandeswari Mohan, T. G. Nithya, Mohankumar Srinivasan, Shakthivel Rajendran, Parthasarathy Surya, Suriyaprakash Rajadesingu

Cobalt ferrite (CoFe2O4) nanoparticles are gaining attention in biomedical science for applications in imaging, drug delivery, and cancer therapy. As a hard magnetic material, CoFe2O4 exhibits moderate magnetism and high coercivity, 1235 Oe–2.2 kOe at room temperature, up to 10.5 kOe at low temperatures. Its saturation magnetization decreases with smaller particle sizes, ranging from ∼69 emu/g for larger particles to ∼35 emu/g for smaller ones. CoFe2O4 crystallizes in a cubic spinel (AB2O4) structure, with a lattice parameter of 8.358 Å. Core–shell architectures enhance thermal stability up to 650 °C, while thermogravimetric analysis confirms stability up to 600 °C. This review explores recent advances in synthesis techniques, such as sol–gel and hydrothermal methods, which have enabled precise control over size, shape, and magnetic properties, optimizing CoFe2O4 for biomedical applications. Functionalization strategies, including polymer coatings and biomimetic approaches, enhance biocompatibility and targeted therapeutic performance. One promising innovation is cell membrane coating, which improves immune evasion and drug delivery. By exploring these advancements and addressing the barriers to clinical implementation, this review provides insights into how CoFe2O4 nanoparticles could become a key player in the future of nanomedicine.

Graphical Abstract

Biofunctionalized CoFe2O4 nanoparticles for targeted theranostics

钴铁氧体(CoFe2O4)纳米颗粒在生物医学领域的成像、药物输送和癌症治疗方面的应用越来越受到关注。作为一种硬磁性材料,CoFe2O4具有中等磁性和高矫顽力,室温下为1235 Oe-2.2 kOe,低温下可达10.5 kOe。其饱和磁化强度随着颗粒尺寸的减小而减小,从大颗粒的~ 69 emu/g到小颗粒的~ 35 emu/g不等。CoFe2O4结晶为立方尖晶石(AB2O4)结构,晶格参数为8.358 Å。核壳结构增强了高达650°C的热稳定性,而热重分析证实了高达600°C的稳定性。本文综述了溶胶-凝胶法和水热法等合成技术的最新进展,这些技术可以精确控制CoFe2O4的尺寸、形状和磁性,从而优化CoFe2O4在生物医学领域的应用。功能化策略,包括聚合物涂层和仿生方法,提高了生物相容性和靶向治疗性能。一个有希望的创新是细胞膜涂层,它可以改善免疫逃避和药物输送。通过探索这些进展和解决临床实施的障碍,本综述提供了CoFe2O4纳米颗粒如何成为纳米医学未来的关键角色的见解。用于靶向治疗的生物功能化CoFe2O4纳米颗粒
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引用次数: 0
Microstructural and Magnetic Properties of La-Ce co-Doped Soft-Hard Ferrites Synthesized by the Co-precipitation Method 共沉淀法合成La-Ce共掺杂软硬铁氧体的显微组织和磁性能
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-10-02 DOI: 10.1007/s10948-025-07050-2
Amna Azhar, Mozaffar Hussain, Rizwan Akram, Zahid Sarfraz, Ayesha Iqbal

Hexaferrites’ magnetic and structural properties are highly sensitive to changes in sintering temperature and cationic replacements. We report the phase, microstructural analysis, and magnetic behavior of La-Ce co-doped ferrites with a wide range of compositions, including strontium ferrite [SrFe12-x(La0.5Ce0.5)xO19] and cobalt ferrite [CoFe2-x(La0.5Ce0.5)xO4] with varying La-Ce contents (x = 0.0–0.4) using a modified co-precipitation method at room temperature. The results confirmed the hexagonal and cubic structure for La-Ce co-doped strontium and cobalt ferrite compounds, respectively. Morphological studies show particles with a rod-like to plate-like morphology, featuring irregular edges and a moderate degree of agglomeration, suggesting anisotropic grain growth. The lattice parameters a (lattice constant in the basal plane) and c (lattice constant along the vertical direction) for strontium ferrite decrease from 5.84 to 5.20 Å and 23.01 to 21.92 Å, respectively, while for cobalt ferrite they increase from 8.29 to 8.38 Å. The optimum magnetic investigations include saturation magnetization (Ms), remanent magnetization (Mr), and coercivity (Hc) up to 71.6 emu/g, 30 emu/g, 1284 Oe, and 39 emu/g, 16 emu/g, and 349 Oe with 10% La-Ce substitution for Fe in strontium and cobalt ferrite, respectively. Thirty percent La-Ce substitution for Fe in cobalt ferrite results in an unexpected increase in Ms (50.92 emu/g) and Mr (20.86 emu/g) that could be attributed to the cation redistribution. The Mr/Ms ratio decreases with the increase of La-Ce contents in both compounds, which is attributed to the reduced exchange interaction between magnetic particles. The moderate values of magnetic parameters make them suitable for permanent magnets in motors and generators, loudspeakers, and audio equipment. 

六铁体的磁性和结构性能对烧结温度和阳离子置换的变化高度敏感。本文采用改进的共沉淀法,在室温下对不同La-Ce含量(x = 0.0 .4)的锶铁氧体[SrFe12-x(la0.5 . ce0.5)xO19]和钴铁氧体[CoFe2-x(la0.5 . ce0.5)xO4]等多种成分的La-Ce共掺杂铁氧体进行了相、显微结构分析和磁性行为分析。结果证实了La-Ce共掺杂的锶铁氧体和钴铁氧体化合物分别为六方结构和立方结构。形貌研究表明,颗粒呈棒状至片状,边缘不规则,团聚程度适中,晶粒生长呈各向异性。锶铁氧体的晶格参数a(基面晶格常数)和c(垂直方向晶格常数)分别从5.84降低到5.20 Å和23.01降低到21.92 Å,而钴铁氧体的晶格参数从8.29增加到8.38 Å。在锶铁氧体和钴铁氧体中,用10%的La-Ce取代铁,其饱和磁化强度(Ms)、剩余磁化强度(Mr)和矫顽力(Hc)分别达到71.6 emu/g、30 emu/g、1284 Oe和39 emu/g、16 emu/g和349 Oe。在钴铁氧体中,30%的La-Ce取代Fe导致Ms (50.92 emu/g)和Mr (20.86 emu/g)的意外增加,这可能归因于阳离子的重新分配。随着La-Ce含量的增加,两种化合物的Mr/Ms比值减小,这是由于磁性粒子之间的交换相互作用减少所致。磁性参数的适中值使其适用于电机和发电机,扬声器和音频设备中的永磁体。
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引用次数: 0
First-Principles Investigation of the Influence of Disorder on Electronic and Magnetic Properties in CoFeMnAl Quaternary Heusler Alloys 无序对普通四元Heusler合金电子和磁性能影响的第一性原理研究
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2025-09-29 DOI: 10.1007/s10948-025-07048-w
Laid Latreche, Hamza Abbassa, El Habib Abbes, Abdelkader Boukortt

First-principles calculations, combined with the supercell approach, are employed to investigate the effects of atomic disorder on the electronic properties of the CoFeMnAl quaternary Heusler alloy (LiMgPdSn-type). The ordered alloy is a half-metallic ferromagnet; its moment obeys the Slater-Pauling rule with TC > 300 K. We analyse twelve antisite and six swap disorder configurations. Calculations show that the FeMn antisite is the most energetically favourable defect (−1.25 eV), followed by the FeCo antisite and the MnAl swap. The disorder generally contracts the spin-down gap. Half-metallicity is largely preserved but completely lost for CoAl, CoMn antisite and CoAl, CoMn swap defects. Disorder has a significant effect on the magnetic moment and Curie temperature. The FeMn antisite gives 3.12 µB, which is very close to the experimental value of 3.10 µB. This study demonstrates the importance of considering disorder when predicting the properties of Heusler alloys.

采用第一性原理计算和超级单体方法,研究了原子无序性对普通四元Heusler合金(limgpdsn型)电子性能的影响。有序合金为半金属铁磁体;其力矩在TC >; 300k时服从斯莱特-鲍林规律。我们分析了12种对位和6种交换无序构型。计算表明,FeMn对位是能量最有利的缺陷(- 1.25 eV),其次是FeCo对位和MnAl交换。无序通常收缩自旋下间隙。半金属性在很大程度上保留了下来,但在煤、钴和煤、钴交换缺陷中完全丧失了半金属性。无序性对磁矩和居里温度有显著影响。FeMn对位给出3.12µB,与实验值3.10µB非常接近。这项研究证明了在预测Heusler合金性能时考虑无序的重要性。
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Journal of Superconductivity and Novel Magnetism
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