V.K. Sahu , P. Dutta , M.P. Saravanan , R.C. Moharana , A. Thamizhavel , S. Bhowal , B. Koteswararao
{"title":"HYbO2: A Jeff = 12 anisotropic triangular lattice","authors":"V.K. Sahu , P. Dutta , M.P. Saravanan , R.C. Moharana , A. Thamizhavel , S. Bhowal , B. Koteswararao","doi":"10.1016/j.jmmm.2025.173034","DOIUrl":"10.1016/j.jmmm.2025.173034","url":null,"abstract":"<div><div>Highly frustrated magnets exhibit unusually ordered and disordered quantum ground states. The two-dimensional (2D) antiferromagnetic triangular lattice is one of the simplest models to explore unconventional excitations. A family of compounds AYbX<sub>2</sub> (A = Na, K, and X = O, S, Se) hold the 2D isotropic triangular lattices and exhibit the ground state of quantum spin liquid with gapless excitations originating from the Spinon-Fermi surface. The compound HYbO<sub>2</sub> has a chemical formula similar to the AYbX<sub>2</sub> family, but the crystal structure has an anisotropic 2D triangular lattice. We successfully synthesized HYbO<sub>2</sub> polycrystalline samples using the hydrothermal synthesis method and confirmed the single phase using powder X-ray diffraction measurements. Magnetic susceptibility and specific heat measurements confirm that Yb<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span> hosts the <span><math><msub><mrow><mi>J</mi></mrow><mrow><mi>eff</mi></mrow></msub></math></span> = <span><math><mfrac><mrow><mn>1</mn></mrow><mrow><mn>2</mn></mrow></mfrac></math></span> state at low temperatures. The magnetic moments interact antiferromagnetically with <span><math><msub><mrow><mi>θ</mi></mrow><mrow><mi>CW</mi></mrow></msub></math></span> = −3.8 K at low temperatures. The system exhibits magnetic long-range order at 1.18 K, possibly due to the non-negligible inter-layer interactions between the anisotropic triangular lattice layers. The electronic structure calculations further evidence anisotropy in the effective spin space due to the involvement of strong spin–orbit coupling. Overall, the system HYbO<sub>2</sub> is anisotropic in both spatial and spin space.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"626 ","pages":"Article 173034"},"PeriodicalIF":2.5,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143868193","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}
{"title":"Metastable states in layered antiferromagnetic structures causing giant magnetoresistance","authors":"Vladislav Egorov, Boris Kryzhanovsky","doi":"10.1016/j.jmmm.2025.173071","DOIUrl":"10.1016/j.jmmm.2025.173071","url":null,"abstract":"<div><div>Metastable states in a spin system with antiferromagnetic and ferromagnetic interactions and a possible local energy minimum have been studied. The antiferromagnetic state of this sort of system with zero magnetization is shown to be stable to the action of an external magnetic field. Within a certain range of external magnetic field amplitudes this state becomes a local energy minimum separated from the global minimum by a big energy barrier. Only when the external field is strong enough, the local energy minimum disappears and an abrupt transition to a ferromagnetic state occurs. Analytical expressions explaining this behavior are obtained in terms of the mean field approximation. A layered lattice with a finite interaction radius is used for computer simulation whose results agree with conclusions of the mean field approximation.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173071"},"PeriodicalIF":2.5,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839020","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}
Temzini Rachida , Bourourou Yahia , Boulebda Hichem , Bentria El Tayeb , Maabed Said , Belli Ayoub , Rached Youcef , Bouchenafa Mohammed
{"title":"Half-metallic ferromagnetism and thermoelectric performance of PdFeCrZ (Z = Al, Si, Sb, Ge) Quaternary Heusler alloys for thermo-spintronic applications","authors":"Temzini Rachida , Bourourou Yahia , Boulebda Hichem , Bentria El Tayeb , Maabed Said , Belli Ayoub , Rached Youcef , Bouchenafa Mohammed","doi":"10.1016/j.jmmm.2025.173072","DOIUrl":"10.1016/j.jmmm.2025.173072","url":null,"abstract":"<div><div>Density Functional Theory (DFT) was utilized for a comprehensive analysis of the structural, electronic, magnetic, and thermoelectric properties of PdFeCrZ (Z: Al, Si, Sb, Ge) Quaternary-Heusler alloys (QHAs). The initial phase involved a meticulous examination of the chemical phase of QHA, considering three distinct structural arrangements (Type I, II, and III structures). All the compounds are more stable in ferromagnetic type I structure. The thermodynamic and dynamic stabilities of the studied compounds were confirmed through the calculation of their formation energy and phonon dispersion curve. The band structure analysis was performed using the Generalized Gradient Approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) functional and the modified Becke-Johnson (mBJ) approach. The later shows a half metallic ferromagnetic behavior for both PdFeCrAl and PdFeCrSi compounds, nearly half-metallic ferromagnetic behavior for PdFeCrSb, and no band gap for PdFeCrGe (spin gapless). Moreover, the magnetic moments exhibit a value of 4.97 µB for PdFeCrSb, and an integer values of 3, 4 and 4 µB for PdFeCrAl, PdFeCrSi and PdFeCrGe, respectively, consistent with the Slater-Pauling rule. The Curie temperatures of the investigated PdFeCrZ (Z = Al, Si, Sb, Ge) compounds were calculated using the mean-field approximation. To assess thermal performance, Boltzmann’s transport theory was employed, allowing the calculation of essential thermoelectric properties across a broad temperature range (300 to 600 K). These properties include the Seebeck coefficient (<em>S</em>), electrical conductivity (<span><math><mrow><mi>σ</mi></mrow></math></span><em>/τ</em>), thermal electronic conductivity (<em>κ<sub>e</sub>/τ</em>), power factor (<em>PF</em>), and the figure of merit (<em>zT</em>). The calculated <em>zT</em> values range between 0.56 and 0.84. The obtained results confirm the potential applicability of these compounds in advanced thermo-spintronic devices. This study is important as it could pave the way for more efficient energy conversion and storage technologies, ultimately enhancing the performance of next-generation electronic devices.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173072"},"PeriodicalIF":2.5,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143843235","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}
Qichao Liang , Qiang Ma , Hao Wu , Rongshun Lai , Qianji Wang , Zhibin Li , Haibo Xu , Yangyang Zhang , Tao Qi
{"title":"Concentration extraction and spatial distribution identification of heavy rare earth in EPMA images of sintered Nd–Fe–B","authors":"Qichao Liang , Qiang Ma , Hao Wu , Rongshun Lai , Qianji Wang , Zhibin Li , Haibo Xu , Yangyang Zhang , Tao Qi","doi":"10.1016/j.jmmm.2025.173028","DOIUrl":"10.1016/j.jmmm.2025.173028","url":null,"abstract":"<div><div>The addition of heavy rare earth elements to sintered Nd–Fe–B magnets through grain boundary diffusion techniques can significantly improve the coercivity of magnets with minimal reduction in remanence. The diffusion depth and distribution of the diffusion source are critical metrics for evaluating the efficiency of the diffusion process. Glow discharge mass spectrometry can sequentially strip layers of the magnet within a limited region to measure the concentration of the diffusion source at various depths. However, the accuracy is compromised by the multiphase nature of the base magnet material and the inhomogeneous distribution of the diffusion source. In contrast, electron probe microanalysis enables direct observation of the diffusion depth and distribution by analyzing diffusion cross-sections of the magnet. Coupled with digital image processing techniques, electron probe microanalysis allows high-throughput analysis of images to calculate concentration across depth intervals, establish depth-concentration relationships, and predict the concentration of heavy rare-earth elements at specific depths. Describing the distribution of diffusion sources presents a significant challenge. In this work, a probabilistic denoising diffusion model is proposed for the first time to quantify the distribution of the diffusion source. EPMA images were segmented into 3,700 distinct positions for model training. The trained model can generate diffusion images with the same distribution of heavy rare-earth elements at any position. By training on microscopic images of various magnets, the model establishes a profound correlation between magnet performance and microstructure, providing practical guidance for optimizing magnets or diffusion sources.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173028"},"PeriodicalIF":2.5,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835376","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}
Z. Turgut , G. Kozlowski , Y. Shen , M.V. McLeod , E. Karapetrova , J. Horwath , M.S. Lucas
{"title":"Synthesis and properties of bulk cobalt-carbide permanent magnets","authors":"Z. Turgut , G. Kozlowski , Y. Shen , M.V. McLeod , E. Karapetrova , J. Horwath , M.S. Lucas","doi":"10.1016/j.jmmm.2025.173021","DOIUrl":"10.1016/j.jmmm.2025.173021","url":null,"abstract":"<div><div>Nanocrystalline bulk Co-C permanent magnets were produced by rapid hot consolidation of ball milled powder precursors. Bulk magnets with an average grain size of 20 nm and densities up to 94 percent of the theoretical density were successfully processed at pressures exceeding 1 GPa for the first time. Their microstructural and magnetic properties along with their magnetocrystalline anisotropy values are reported. Presence of iron contamination that results from the use steel milling media in milling was confirmed by elemental mapping of the bulk magnets. It is concluded that iron bonds in the form of hematite and does not adversely affect coercivity values. This study shows that the Co<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>C compound does possess a sizable magnetocrystalline anisotropy, making it a suitable candidate as a rare earth free permanent magnet.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173021"},"PeriodicalIF":2.5,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839021","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}
Lanli Chen , Hongduo Hu , Aiping Wang , Zhihua Xiong , Yuanyuan Cui , Yanfeng Gao
{"title":"Tailoring the electronic and magnetic properties of AA-stacked ZnO bilayer by engineering covalently bonded F/N-intercalation or introducing SiC substrate","authors":"Lanli Chen , Hongduo Hu , Aiping Wang , Zhihua Xiong , Yuanyuan Cui , Yanfeng Gao","doi":"10.1016/j.jmmm.2025.173070","DOIUrl":"10.1016/j.jmmm.2025.173070","url":null,"abstract":"<div><div>To meet the current requirements for diluted magnetic semiconductors, it is essential to design the materials with high stability and spin polarization for promoting the development of spintronic devices. Amelioration on the properties of two-dimensional ZnO bilayers for high-performance optoelectronic and spintronic remains a significant challenge and is highly anticipated. Herein, we systematically investigated the electronic structures and magnetic properties of AA-stacked ZnO bilayers through the first-principles calculations, focusing on the effects of covalently bonded F/N-intercalation and the introduction of SiC substrate. The results indicate that pristine ZnO BL, F@ZnO, N@ZnO bilayer and ZnO/SiC heterostructure exhibit dynamical, and mechanical and thermal stability. F@ZnO and N@ZnO exhibit magnetic properties, and the magnetic moments are 0.659 μ<sub>B</sub> and 1.0 μ<sub>B</sub>, which are primarily derived from O-2<em>p</em> and N-2<em>p</em> orbitals, respectively. F@ZnO exhibits half-metallic magnetic characteristics, whereas N@ZnO displays metallic features at high intercalation concentrations up to 100%. The stable half-metallicity originates from a spontaneous phase transition driven by Stoner instability due to the high density of states peak near the Fermi level. In ZnO/SiC heterostructure, one of the ZnO layers adjacent to the SiC layer becomes buckled with a height of 0.891 Å, while the other ZnO layer, situated farther from the SiC layer, remains planar. Furthermore, the system undergoes the transition from a nonmagnetic state to a ferromagnetic state due to the introduction of C atoms. These findings provide a new platform for designing 2D magnetic thin films, which could hold potential for enhancing the application of ZnO materials in optoelectronic and spintronic devices.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173070"},"PeriodicalIF":2.5,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829105","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}
{"title":"Preparation and characterization of PVDF/ CoFe2O4/g-C3N4 nanocomposite films for multi-functional applications","authors":"R. Nirmal Kumar , J. Hemalatha","doi":"10.1016/j.jmmm.2025.173029","DOIUrl":"10.1016/j.jmmm.2025.173029","url":null,"abstract":"<div><div>Polymer nanocomposite materials with different types of fillers play crucial role in various fields such as biomedical engineering, energy storage, power generation, robotics and automation, electromagnetic shielding, aerospace and defence, especially due to their excellent flexibility, ferroelectric, ferromagnetic, chemical sensing, piezoelectric, pyroelectric and rheological properties. The present study discusses fabrication of polymer nanocomposite films using polyvinylidene fluoride (PVDF) matrix with cobalt ferrite (CoFe<sub>2</sub>O<sub>4</sub>) and graphitic carbon nitride (g-C<sub>3</sub>N<sub>4</sub>) fillers and also their characterization. Crystalline CoFe<sub>2</sub>O<sub>4</sub> nanoparticles and g-C<sub>3</sub>N<sub>4</sub> were prepared and used to fabricate PVDF/CoFe<sub>2</sub>O<sub>4</sub>/g-C<sub>3</sub>N<sub>4</sub> composite films. The structural and compositional details of crystalline CoFe<sub>2</sub>O<sub>4</sub> nanoparticles and the composite films were analysed, along with the fraction of β-phase PVDF. The morphological, magnetic, and dielectric properties of the films were studied using field emission scanning electron microscopy, vibrating sample magnetometry, and LCR measurement respectively. XPS analysis of filler material shows the existence of moderate oxygen vacancy defects and oxygen lattice sites. It is observed the prepared composite film has high electroactive β phase with F(β) of 51 %, 42.4 % of oxygen vacancy defects, moderate saturation magnetization, high coercivity of 1469 Oe, significant magnetic hysteresis, dielectric constant of 26.5 and moderate dielectric loss, all these multi-functional properties reveal that the composite films are capable to shield Electromagnetic (EM) wave and useful for gas sensing applications.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173029"},"PeriodicalIF":2.5,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835378","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}
Della Agustiana , Ramlan , Umer Daraz , Peisheng Lyu
{"title":"The impact of magnesium oxide substituted strontium hexaferrite powder: Investigation on crystal structure and magnetic properties","authors":"Della Agustiana , Ramlan , Umer Daraz , Peisheng Lyu","doi":"10.1016/j.jmmm.2025.173060","DOIUrl":"10.1016/j.jmmm.2025.173060","url":null,"abstract":"<div><div>The demand for magnets in both electrical and non-electrical equipment has seen a significant rise due to their diverse applications. Strontium Hexaferrite (SrFe<sub>12</sub>O<sub>19</sub>) hard magnet stand out for their excellent properties, including high Magnetic Saturation (M<sub>s</sub>), Coercivity (H<sub>c</sub>), Curie Temperature, and Chemical Stability. To further improve the properties of (SrFe<sub>12</sub>O<sub>19</sub>), doping with specific elements is necessary. In this article, (SrFe<sub>12</sub>O<sub>19</sub>) magnetic powder was prepared with MgO (0 %, 0.5 %, 1 %, 1.5 %, 2 % wt) addition using the powder metallurgy method. The characteristics of materials were studied through TG-DTA (Thermo-gravimetric – Differential Thermal Analysis), XRD (X-ray Diffraction), and VSM (Vibration Sample Magnetometer). DTA detects that the formation of SrFe<sub>12</sub>O<sub>19</sub> occurs above 1000 °C with a mass reduction of only 0.344096 %. Thus, the sample calcination is conducted at 1100 °C. The addition of MgO led to a decrease in crystallite size, with the smallest crystallite size (36.78 nm by the Scherrer method and 38.40 nm analyzed by XRD) observed at 2 % MgO. Furthermore, MgO doping significantly increased the magnetic coercivity, reaching a maximum value of 3.437 kOe. This enhancement in coercivity is attributed to an increase in crystal anisotropy fields caused by Mg substitution, demonstrating the instrinsic effect of Mg on improving the coercive field.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173060"},"PeriodicalIF":2.5,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825865","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}
Tatiana V. Mikhailova , Sergey D. Lyashko , Sebastian V. Osmanov , Andrey V. Zolotaryov , Evgeny Yu. Semuk , Igor A. Naukhatsky , Alexander L. Kudryashov , Alexander N. Shaposhnikov , Vladimir N. Berzhansky , Yury E. Vysokikh , Sergey Yu. Krasnoborodko , Sergey S. Itskov
{"title":"Effect of crystallization annealing on the formation of double-layer iron garnet films deposited by magnetron sputtering for photonics and integrated optics","authors":"Tatiana V. Mikhailova , Sergey D. Lyashko , Sebastian V. Osmanov , Andrey V. Zolotaryov , Evgeny Yu. Semuk , Igor A. Naukhatsky , Alexander L. Kudryashov , Alexander N. Shaposhnikov , Vladimir N. Berzhansky , Yury E. Vysokikh , Sergey Yu. Krasnoborodko , Sergey S. Itskov","doi":"10.1016/j.jmmm.2025.173043","DOIUrl":"10.1016/j.jmmm.2025.173043","url":null,"abstract":"<div><div>Two-step methods for the synthesis of magneto-optical iron garnets with a high bismuth content, based on the growth of a nonthermodynamical garnet with a high bismuth content on a thermodynamic garnet sublayer, have become widely known now. This paper shows how the degree of crystallinity of the garnet sublayer (yttrium iron garnet) affects the formation of the main magneto-optical layer (bismuth-substituted iron garnet). The degree of crystallinity of the sublayer was controlled by changing the time of crystallization annealing of the amorphous layer deposited by the magnetron method. Crystallization of the sublayer occurs through the formation of crystallization centers in the form of circular micron-sized islands. It has been experimentally demonstrated that a high-quality double-layer film with a large specific Faraday rotation of the main magneto-optical layer –27.78°/μm and a homogeneous polycrystalline structure is formed with an annealing duration of the sublayer of 60 min. The synthesized double-layer films in this case demonstrate record low coercivity for those obtained by vacuum sputtering methods, from 67 to 97 Oe. Double-layer films can be effectively used in photonic structures and nanodevices.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173043"},"PeriodicalIF":2.5,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820431","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}
Yanlin Ma , Yong yong Cao , Jie Li , Yida Lei , Yang Xiao , Yingli Liu , Zhiyong Zhong
{"title":"Exchange interactions in Ba3Co2Fe24O41 ferrite","authors":"Yanlin Ma , Yong yong Cao , Jie Li , Yida Lei , Yang Xiao , Yingli Liu , Zhiyong Zhong","doi":"10.1016/j.jmmm.2025.173046","DOIUrl":"10.1016/j.jmmm.2025.173046","url":null,"abstract":"<div><div>Super exchange interactions are pivotal to understanding the magnetism of complex ferrites. In this study, the electronic structure, magnetism, and superexchange interactions of Co<sub>2</sub>Z (Ba<sub>3</sub>Co<sub>2</sub>Fe<sub>24</sub>O<sub>41</sub>) were calculated using density functional theory (DFT) with the GGA + <em>U</em> method. The results indicate that Co<sub>2</sub>Z exhibits semiconductor properties, with Fe<sup>3+</sup> ions in all sublattices in a high-spin state. The band structure reveals strong hybridization between Fe 3<em>d</em> and O 2<em>p</em> orbitals, which forms the basis for the Fe-O-Fe super exchange interactions. Importantly, the exchange mechanism between all sublattices is antiferromagnetic, though the strength of the exchange interactions varies due to spatial differences among the sublattices, there is a strong exchange interaction between the sites 2a and 4f2*, 2d and 4f1. Moreover, the Curie temperature calculated (545 K) from the exchange integrals is close to the experimental value (600 K).</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"624 ","pages":"Article 173046"},"PeriodicalIF":2.5,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143817635","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}