Journal of Magnetism and Magnetic Materials最新文献

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Magnetic ground state of the new perovskite variant Ba3CoSn2O9 新钙钛矿变体Ba3CoSn2O9的磁基态
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-16 DOI: 10.1016/j.jmmm.2025.173241
Santanu De , Supratik Mukherjee , Rahul Singh , S. Karmakar , Shipra Das , U.K. Goutam , R. Rawat , G. Vaitheeswaran , P.N. Santhosh
{"title":"Magnetic ground state of the new perovskite variant Ba3CoSn2O9","authors":"Santanu De ,&nbsp;Supratik Mukherjee ,&nbsp;Rahul Singh ,&nbsp;S. Karmakar ,&nbsp;Shipra Das ,&nbsp;U.K. Goutam ,&nbsp;R. Rawat ,&nbsp;G. Vaitheeswaran ,&nbsp;P.N. Santhosh","doi":"10.1016/j.jmmm.2025.173241","DOIUrl":"10.1016/j.jmmm.2025.173241","url":null,"abstract":"<div><div>Novel materials are of great interest due to the realization of many exotic states of matter. One of these systems, Ba<sub>3</sub>CoSn<sub>2</sub>O<sub>9</sub>, belonging to perovskite variants has been synthesized followed by the magnetic ground state study. Unlike 6H-perovskites, this system is crystallized in face-centred cubic (FCC) structure under the space group, <em>Fm3̄m</em>. The magnetic cobalts are in the spin half state at octahedral sites in this A <figure><img></figure> ... stacked square lattice comprising triangular sub-lattices (TL). Moreover, the magnetic sites are partially occupied by non-magnetic tin that removes the frustrating nature of 1/2 predominantly antiferromagnetic moments in this TL system. Remaining moments in the same TL lattice get ordered antiferromagnetically at T<span><math><msub><mrow></mrow><mrow><mi>N</mi></mrow></msub></math></span> = 40 K resulting in a partially disordered antiferromagnetic state in this FCC crystal-lattice.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173241"},"PeriodicalIF":2.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144322169","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
Voltage-controlled motion of transverse domain walls in cubic magnetostrictive materials under transverse magnetic field 横磁场作用下立方磁致伸缩材料横畴壁的电压控制运动
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-16 DOI: 10.1016/j.jmmm.2025.173212
Sumit Maity, Ambalika Halder, Sharad Dwivedi
{"title":"Voltage-controlled motion of transverse domain walls in cubic magnetostrictive materials under transverse magnetic field","authors":"Sumit Maity,&nbsp;Ambalika Halder,&nbsp;Sharad Dwivedi","doi":"10.1016/j.jmmm.2025.173212","DOIUrl":"10.1016/j.jmmm.2025.173212","url":null,"abstract":"<div><div>This work examines the dynamic features of Néel-type transverse domain walls within a thin cubic crystal magnetostrictive material tightly coupled with a thick piezoelectric actuator under the combined effects of transverse and axial (driving) magnetic fields, current density, voltage-generated electric field, magnetocrystalline anisotropy, magnetoelastic field and the crystal symmetry of the material. The investigation is performed within the framework of the one-dimensional Landau–Lifshitz–Gilbert equation. We introduce a trial function based on the Schryer and Walker approach and employ the small angle approximation technique to determine the explicit expression of key parameters such as domain wall profile, width, velocity, displacement, and excitation angle. Our results indicate that the transverse magnetic field significantly increases the domain wall velocity for the field-driven motion; however, it does not affect the velocity in the current-driven one. Moreover, magnetostriction, voltage-generated electric field, and cubic anisotropy provide additional control to suitably tune the domain wall width, velocity, and displacement. These factors can effectively manipulate field-driven DW mobility via DW width; however, do not alter current-driven DW one. Our findings show good qualitative agreement with recent observations.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173212"},"PeriodicalIF":2.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144331467","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 Ti-Sn co-doping on the superconducting properties of RHQT Nb3Al wires Ti-Sn共掺杂对RHQT Nb3Al线超导性能的影响
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-15 DOI: 10.1016/j.jmmm.2025.173305
Yuyao Zhang , Zhou Yu , Wenlong Li , Changkun Yang , Huaihao Zhang , Jiahao Ren , Hong Peng , Wentao Wang , Xiaguang Sun , Yong Zhao
{"title":"Effect of Ti-Sn co-doping on the superconducting properties of RHQT Nb3Al wires","authors":"Yuyao Zhang ,&nbsp;Zhou Yu ,&nbsp;Wenlong Li ,&nbsp;Changkun Yang ,&nbsp;Huaihao Zhang ,&nbsp;Jiahao Ren ,&nbsp;Hong Peng ,&nbsp;Wentao Wang ,&nbsp;Xiaguang Sun ,&nbsp;Yong Zhao","doi":"10.1016/j.jmmm.2025.173305","DOIUrl":"10.1016/j.jmmm.2025.173305","url":null,"abstract":"<div><div>Nb<sub>3</sub>Al superconducting wire co-doped with Ti and Sn elements was fabricated by rapid heating quenching, and transformation (RHQT) method. Various amounts of Ti and Sn were doped in the precursor wire, including 0.5%Ti 1% Sn, 1%Ti 1% Sn, 2%Ti 1% Sn with different Ti/Sn ratios, and 0.25% Ti 0.5% Sn, 1%Ti 2% Sn, 2% Ti 4% Sn with fixed Ti/Sn ratio. All the wires consist of Nb<sub>3</sub>Al A15 superconducting phase and have a uniform microstructure after the RHQT process. Compared to the pure sample, the <em>J</em><sub>c</sub> of Nb<sub>3</sub>Al sample doped with 0.5%Ti 1% Sn increased 52 %, reaching the maximum value of 1.1 × 10<sup>5</sup>A/cm<sup>2</sup>@4.2 K, 12 T. Other two Nb<sub>3</sub>Al samples doped with 0.25% Ti 0.5 % Sn and 1% Ti 2% Sn showed <em>J</em><sub>c</sub> improvement of about 50 % at 10 K, 8 T. The chemical composition of Ti and Sn is highly uniform with the atomic ratio approximating 1:2, which might correspond to the Ti<sub>6</sub>Sn<sub>5</sub> intermetallic compound based on the Ti-Sn phase diagram. In the Ti and Sn co-doped samples, the peak position of the normalized flux pinning force shifts to a higher normalized field, indicating the contribution of point pinning centers. Therefore, the improvement of <em>J</em><sub>c</sub> in the Ti and Sn co-doped Nb<sub>3</sub>Al samples might be attributed to the formation of nano-sized Ti<sub>6</sub>Sn<sub>5</sub> particles in the superconducting matrix. During the rapid heating process, the Ti and Sn atoms were dissolved in the Nb(Al)<sub>ss</sub> phase, and then precipitated out during the transformation heat treatment to form nano-sized Ti<sub>6</sub>Sn<sub>5</sub> particles in the Nb<sub>3</sub>Al phase.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173305"},"PeriodicalIF":2.5,"publicationDate":"2025-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144331466","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
The impact of the external magnetic field on D2+ ion ground state properties in a Gaussian GaAs quantum dot 外磁场对高斯GaAs量子点中D2+离子基态性质的影响
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-14 DOI: 10.1016/j.jmmm.2025.173304
Siddartha Gone , Divya Rani Gunty , Madhusudan Gorre , Narasimha Raju Chebrolu , Aalu Boda
{"title":"The impact of the external magnetic field on D2+ ion ground state properties in a Gaussian GaAs quantum dot","authors":"Siddartha Gone ,&nbsp;Divya Rani Gunty ,&nbsp;Madhusudan Gorre ,&nbsp;Narasimha Raju Chebrolu ,&nbsp;Aalu Boda","doi":"10.1016/j.jmmm.2025.173304","DOIUrl":"10.1016/j.jmmm.2025.173304","url":null,"abstract":"<div><div>This manuscript is devoted to studying the effect of the external magnetic field on the hydrogen molecule (<span><math><msubsup><mi>D</mi><mrow><mn>2</mn></mrow><mo>+</mo></msubsup></math></span>) ion in a 3-dimensional Gaussian potential quantum dot. One donor impurity is assumed to be on-center, and the other can move on the positive x-axis, which is assumed to be off-center. Using the Ritz variational method, the system’s ground state energy and binding energy are obtained as a function of quantum dot size, donor impurity distance, and magnetic field strength. The magnetic moment and magnetic susceptibility of the <span><math><msubsup><mi>D</mi><mrow><mn>2</mn></mrow><mo>+</mo></msubsup></math></span> ion impurity is also calculated.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173304"},"PeriodicalIF":2.5,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144313493","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
Crystal structure and magnetic properties of CeFe11M (M = Mo, W) CeFe11M (M = Mo, W)的晶体结构和磁性能
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-14 DOI: 10.1016/j.jmmm.2025.173294
Akila Raja, Olena Palasyuk, Deborah Schlagel, Thomas Lograsso, Andriy Palasyuk
{"title":"Crystal structure and magnetic properties of CeFe11M (M = Mo, W)","authors":"Akila Raja,&nbsp;Olena Palasyuk,&nbsp;Deborah Schlagel,&nbsp;Thomas Lograsso,&nbsp;Andriy Palasyuk","doi":"10.1016/j.jmmm.2025.173294","DOIUrl":"10.1016/j.jmmm.2025.173294","url":null,"abstract":"<div><div>Tetragonal CeFe<sub>11</sub>Mo (struct. type ThMn<sub>12</sub>, <em>a</em> = 8.529(1) Å, <em>c</em> = 4.766(1) Å, <em>V</em> = 346.68(1) Å<sup>3</sup>) and novel isostructural CeFe<sub>11</sub>W (<em>a</em> = 8.539(1) Å, <em>c</em> = 4.754(1) Å, <em>V</em> = 346.62(1) Å<sup>3</sup>) are obtained in bulk, as homogenized single-phase arc-melted alloys. Their crystal structures are evaluated by full profile Rietveld analysis of the powder X-ray diffraction patterns which confirm that Ce occupies the 2<em>a</em> atomic site in both cases, whereas atomic disorder is present in the Fe-sublattice, i.e., predominantly on the dumbbell 8<em>i</em> site and minorly on two other sites 8<em>j</em> and 8<em>f</em>. In CeFe<sub>11</sub>Mo the third element, M, is mixed with Fe on the 8<em>i</em> dumbbell site and 8<em>f</em> atomic position, whereas in CeFe<sub>11</sub>W<strong>,</strong> M is mixed on the 8<em>i</em> and 8<em>j</em> Fe sites. In these bulk CeFe<sub>12-</sub><em><sub>x</sub></em>M<em><sub>x</sub></em> alloys the tetragonal structure persists at lower M content, <em>x</em>  &lt; 1 here, in comparison to known similar alloys, with <em>x</em>  &gt; 1. Because of the low M content, comparably higher values of mass magnetization and Curie temperature are achieved i.e., CeFe<sub>11</sub>Mo: <em>ϭ</em><sub>s</sub> = 104 emu/g (14.7 µ<sub>B</sub>/f.u.), <em>T</em><sub>c</sub> = 420 K and CeFe<sub>11</sub>W: <em>ϭ</em><sub>s</sub> = 99 emu/g (16.5 µ<sub>B</sub>/f.u.), <em>T</em><sub>c</sub> = 450 K. Magnetocrystalline anisotropy is uniaxial with anisotropy fields <em>H</em><sub>a</sub> ∼ 14.5 and 16.5 kOe, respectively. Based on Curie temperature and magnetic anisotropy enhancements, using tungsten as the stabilizing dopant is more beneficial than molybdenum.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173294"},"PeriodicalIF":2.5,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144279518","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
Physical properties of multiferroic (1-x) Bi4Ti3O12 – x BiFeO3 composite thin film fabricated by pulsed laser deposition technique for memristor devices: A comparative study 脉冲激光沉积技术制备用于忆阻器器件的多铁(1-x) Bi4Ti3O12 -x BiFeO3复合薄膜的物理性能比较研究
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-14 DOI: 10.1016/j.jmmm.2025.173303
Priyanka Mitra , Subho Saha , R.J. Choudhary , B. Harihara Venkataraman
{"title":"Physical properties of multiferroic (1-x) Bi4Ti3O12 – x BiFeO3 composite thin film fabricated by pulsed laser deposition technique for memristor devices: A comparative study","authors":"Priyanka Mitra ,&nbsp;Subho Saha ,&nbsp;R.J. Choudhary ,&nbsp;B. Harihara Venkataraman","doi":"10.1016/j.jmmm.2025.173303","DOIUrl":"10.1016/j.jmmm.2025.173303","url":null,"abstract":"<div><div>In the digital era, multiferroic materials are attractive due to their simultaneous coupling between ferroelectric and ferromagnetic orders to utilise them for various applications like capacitors, sensors, spintronics, and NVRAM devices. Usually, these material classifications exist in single or composite forms; however, due to the inherent characteristic limitations, hybrid-phase materials are more suitable than single-phase for electronic applications. Keeping this in view, (1-<em>x</em>)Bi<sub>4</sub>Ti<sub>3</sub>O<sub>12</sub> – <em>x</em>BiFeO<sub>3</sub> (<em>x</em> = 0.1 and 0.9) diphasic composite thin film with MIM device configuration has been grown on the ITO-coated glass substrate, prepared by using the Pulsed Laser Deposition technique. The X-ray diffraction pattern confirmed the co-existence of the diphasic composite thin film where a sharp characteristic peak at 2θ ∼ 30.08° has confirmed the phase formation of a bismuth titanate crystal structure associated with a peak at 2θ ∼ 32.10° corresponding to the bismuth ferrite phase. Atomic Force Microscopy investigation indicates that uniform grain growth associated with a lower concentration of oxygen vacancies impacts the smoother surface of the 0.9BIT-0.1BFO than 0.1BIT-0.9BFO thin film samples. The X-ray photoelectron spectroscopy analysis corroborated the Fe-ions and oxygen vacancies in these thin film samples, affecting the material’s ferroelectric and magnetic properties. Interestingly, lesser oxygen vacancies influence the plume dynamic of the 0.9BIT-0.1BFO sample to obtain a smoother and more efficient thin film. It is noteworthy that the P-E characteristic studies of 0.9BIT-0.1BFO thin film exhibited a hysteresis loop with an enhanced magnitude of P<sub>r</sub> (∼ 15 μC/cm<sup>2</sup>) and E<sub>c</sub> (∼ 99 kV/cm) due to the lesser oxygen vacancies and domain pinning dynamics than 0.1BIT-0.9BFO sample studied. Hence, this uniformly deposited di-phasic composite thin film configuration could be exploited as a better candidate for capacitors and memory device-based applications.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173303"},"PeriodicalIF":2.5,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144288901","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
Hubbard and strain effects on electronic, magnetic and elastic properties of FeV, Fe3V and FeV3 FeV、Fe3V和FeV3的电子、磁性和弹性的Hubbard和应变效应
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-14 DOI: 10.1016/j.jmmm.2025.173257
A. Elkhou , M. Lassri , L.B. Drissi
{"title":"Hubbard and strain effects on electronic, magnetic and elastic properties of FeV, Fe3V and FeV3","authors":"A. Elkhou ,&nbsp;M. Lassri ,&nbsp;L.B. Drissi","doi":"10.1016/j.jmmm.2025.173257","DOIUrl":"10.1016/j.jmmm.2025.173257","url":null,"abstract":"<div><div>In this study, we explore the electronic, elastic, and magnetic properties of <span><math><mi>FeV</mi></math></span>, <span><math><mrow><msub><mrow><mi>Fe</mi></mrow><mrow><mn>3</mn></mrow></msub><mi>V</mi></mrow></math></span> and <span><math><msub><mrow><mi>FeV</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span> alloys using density functional theory (DFT) with the GGA and GGA+U approximations. The GGA+U method, incorporating the Hubbard correction, provides a more accurate description of magnetic interactions compared to standard GGA. Notably, the inclusion of the Hubbard U parameter enhances the metallic characteristics, particularly for the <span><math><msub><mrow><mi>FeV</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span> alloy, which transitions from a non-magnetic to a magnetic metal. We also evaluate the changes in elastic properties across the compounds and examine the influence of tensile strain on the <span><math><mrow><mi>B</mi><mn>2</mn><mo>−</mo><mi>FeV</mi></mrow></math></span> phase, revealing its mechanical response. Under strain, <span><math><mrow><mi>B</mi><mn>2</mn><mo>−</mo><mi>FeV</mi></mrow></math></span> exhibits a metal-to-half-metal transition at strains of 4.9% and 5%, with 100% spin polarization. Additionally, the Curie temperature reaches 820.82 K, well above room temperature, highlighting its potential for applications in electronics and spintronics.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173257"},"PeriodicalIF":2.5,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144331465","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
Investigation of a Quasi-Integral Sliding Mode Control for a nonlinear Maglev experimental system 非线性磁悬浮实验系统的准积分滑模控制研究
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-14 DOI: 10.1016/j.jmmm.2025.173301
Hamna Malik , Sarvat M. Ahmad
{"title":"Investigation of a Quasi-Integral Sliding Mode Control for a nonlinear Maglev experimental system","authors":"Hamna Malik ,&nbsp;Sarvat M. Ahmad","doi":"10.1016/j.jmmm.2025.173301","DOIUrl":"10.1016/j.jmmm.2025.173301","url":null,"abstract":"<div><div>This paper investigates a robust control technique for a magnetic levitation (Maglev) system designed for practical use, addressing common failures of payload-specific systems that operate only under ideal lab conditions. A payload-agnostic maglev system is developed to handle external perturbations and noise. A high-fidelity non-linear electromechanical-coupled model of a ferromagnetic beam and electromagnets is developed by empirically determining key model parameters. Due to the intrinsic instability and nonlinearity of maglev systems, high sampling frequencies are necessary for effective stabilization, making complex controllers impractical. A Quasi-Integral Sliding Mode Controller (QISMC) is proposed, balancing simplicity and robustness while addressing chattering and steady-state error issues typical of conventional Sliding Mode Controllers (SMC). The QISMC’s performance is compared to a linear PIDN controller, which, despite its effectiveness in limited ranges, underperforms in dynamic environments whereas the QISMC excels. The control algorithms are implemented on a dedicated embedded system using Simulink Desktop Real-Time software, and experimental results confirm the simulations’ accuracy, showing strong consistency between theoretical predictions and real-world performance.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173301"},"PeriodicalIF":2.5,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297155","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
First-principles calculations on structural, elastic, electronic, magnetic and thermoelectric properties of hafnium-based ferrimagnetic half metals 基于铪的铁磁性半金属的结构、弹性、电子、磁性和热电性质的第一性原理计算
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-14 DOI: 10.1016/j.jmmm.2025.173296
Klinton Brito K , Jai Muthukumaran J , M Srinivasan
{"title":"First-principles calculations on structural, elastic, electronic, magnetic and thermoelectric properties of hafnium-based ferrimagnetic half metals","authors":"Klinton Brito K ,&nbsp;Jai Muthukumaran J ,&nbsp;M Srinivasan","doi":"10.1016/j.jmmm.2025.173296","DOIUrl":"10.1016/j.jmmm.2025.173296","url":null,"abstract":"<div><div>In this study, we utilized the linearized augmented plane-wave (LAPW) approach based on density functional theory (DFT) to investigate the structural, elastic, electronic, magnetic, and thermoelectric characteristics of the half-Heusler compounds HfMnAs and HfMnGe. The electronic and structural properties of the alloys were examined using the WIEN2k software package, where the exchange–correlation interactions were treated with the Perdew-Burke-Ernzerhof (PBE) formulation of the generalized gradient approximation (GGA). The materials exhibit stability against structural and mechanical distortion, suggesting their potential capability for experimental synthesis for thermoelectric and spintronic applications. The alloys HfMnAs and HfMnGe are half metals obeying Slater-Pauling’s rule, characterized by an integer magnetic moment of <span><math><mrow><mo>-</mo><msub><mrow><mn>2</mn><mi>μ</mi></mrow><mi>B</mi></msub></mrow></math></span> and <span><math><mrow><mo>-</mo><msub><mrow><mn>3</mn><mi>μ</mi></mrow><mi>B</mi></msub></mrow></math></span> respectively. The half-metal HfMnAs shows a direct band gap of 0.93 eV, and the indirect band gap energy of 1.09 eV is observed for the HfMnGe alloy. With the help of the Boltzmann transport equation, we have investigated the thermoelectric properties such as the Seebeck coefficient (S), electrical conductivity (σ), thermal conductivity (κ), and figure of merit (ZT). At 1400 K, HfMnAs attained a Seebeck coefficient of 25 <span><math><mrow><mi>μ</mi><mi>V</mi><mo>/</mo><mi>K</mi></mrow></math></span> and 170 <span><math><mrow><mi>μ</mi><mi>V</mi><mo>/</mo><mi>K</mi></mrow></math></span> for HfMnGe respectively. And so, the figure of merit of 0.52 and 1.09 is achieved for HfMnAs and HfMnGe at 1400 K.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"629 ","pages":"Article 173296"},"PeriodicalIF":2.5,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306499","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 single-ion magnet complexes [Er(HL)(L)]·4CHCl3·H2O on superconductor 单离子磁体配合物[Er(HL)(L)]·4CHCl3·H2O对超导体的影响
IF 2.5 3区 材料科学
Journal of Magnetism and Magnetic Materials Pub Date : 2025-06-13 DOI: 10.1016/j.jmmm.2025.173298
E.I. Kunitsyna, R.B. Morgunov
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