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Search Results (476)

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Keywords = spin exchange

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12 pages, 6657 KB  
Article
Fiber-Coupled Fully Integrated Spin-Exchange Relaxation-Free Atomic Magnetometer for Functional Biomagnetic Measurements
by Wennuo Jiang, Jianjun Li, Xinkun Li and Yuanxing Liu
Sensors 2026, 26(9), 2593; https://doi.org/10.3390/s26092593 - 22 Apr 2026
Abstract
The atomic magnetometer (AM), operating within the spin-exchange relaxation-free (SERF) regime, boasts numerous advantageous qualities, including ultrahigh sensitivity, exceptional spatial resolution, and minimal power consumption. Consequently, it emerges as a promising alternative to superconducting quantum interference devices in biomagnetic measurement applications. This paper [...] Read more.
The atomic magnetometer (AM), operating within the spin-exchange relaxation-free (SERF) regime, boasts numerous advantageous qualities, including ultrahigh sensitivity, exceptional spatial resolution, and minimal power consumption. Consequently, it emerges as a promising alternative to superconducting quantum interference devices in biomagnetic measurement applications. This paper details the development of a fully integrated SERF AM system comprising a compact sensor head and corresponding control electronics. Utilizing a 4 mm × 4 mm × 4 mm cubic vapor cell, we have successfully integrated the compact sensor into a 9 cm3 volume employing a single-beam scheme facilitated by a polarization-maintaining fiber. The in-house control electronics encompass essential components, such as the laser driver, coil driver, vapor-cell temperature controller, and transimpedance amplifier. As a result, the fully integrated SERF AM achieves a sensitivity of 25 fT/Hz1/2@5∼100 Hz, accompanied by a bandwidth of 193 Hz, meeting the necessary criteria for magnetocardiography (MCG) and magnetoencephalography (MEG) measurements. Furthermore, the fully integrated SERF AM successfully records typical MCG and alpha rhythm MEG signals, showcasing immense potential for biomagnetic imaging applications. Full article
(This article belongs to the Special Issue Smart Magnetic Sensors and Application)
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14 pages, 2371 KB  
Article
Multimodal Phase-Space Dynamics Fusion for Robust Ischemia Screening: An Edge-AI Paradigm with SERF Magnetocardiography
by Keyi Li, Xiangyang Zhou, Yifan Jia, Ruizhe Wang, Yidi Cao, Jiaojiao Pang, Rui Shang, Yadan Zhang, Yangyang Cui, Dong Xu and Min Xiang
Biosensors 2026, 16(4), 228; https://doi.org/10.3390/bios16040228 - 20 Apr 2026
Viewed by 174
Abstract
Background: Myocardial ischemia (MI) is a major cause of morbidity and mortality worldwide and requires timely and reliable detection. Although Spin-Exchange Relaxation-Free (SERF) magnetocardiography (MCG) provides femtotesla-level sensitivity for identifying non-linear cardiac repolarization anomalies, its clinical deployment is currently impeded by the computational [...] Read more.
Background: Myocardial ischemia (MI) is a major cause of morbidity and mortality worldwide and requires timely and reliable detection. Although Spin-Exchange Relaxation-Free (SERF) magnetocardiography (MCG) provides femtotesla-level sensitivity for identifying non-linear cardiac repolarization anomalies, its clinical deployment is currently impeded by the computational bottlenecks inherent to portable edge platforms. Methods: We propose a “Sensor-to-Image” Edge-AI framework that links quantum sensing with computer vision. Single-channel SERF-MCG signals from a large cohort of 2118 subjects (1135 Healthy, 983 Ischemia) were transformed into phase-space images using three distinct encoding modalities: Recurrence Plots (RP), Gramian Angular Summation Fields (GASF), and Markov Transition Fields (MTF). These visual representations were subsequently analyzed by a streamlined MobileNetV3-Small architecture, optimized for low-latency inference. To maximize diagnostic precision, an adaptive weighted fusion mechanism was engineered to combine the chaotic specificity captured by RP with the morphological sensitivity of GASF through a validation-optimized fixed global weighting strategy. Results: In our experiments, the fusion model achieved an Area Under the Curve (AUC) of 0.865, which was higher than the 1D-CNN baseline (AUC 0.857) and the single-modality models. Notably, the fusion strategy significantly elevated sensitivity to 88.3% while maintaining a specificity of 66.5%. Although specificity is moderate, this trade-off prioritizes high sensitivity to minimize false negatives in pre-hospital screening scenarios. The average inference time was 4.7 ms per sample on a standard CPU, suggesting suitability for real-time Point-of-Care (PoC) scenarios under further on-device validation. Conclusions: The results suggest that multi-view phase-space fusion can capture subtle spatio-temporal changes associated with ischemia. The proposed lightweight framework may support the development of portable SERF-MCG systems with embedded AI screening. Full article
(This article belongs to the Section Biosensor and Bioelectronic Devices)
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9 pages, 1281 KB  
Article
Charge Exchange Studies with n-, l-, and spin-Quantum State Population in Ar7+-He Collisions
by Yijiao Wu, Hao Yin, Bingsheng Tu, Tianming Meng, Pufang Ma, Xu Tan, Ke Yao, Jun Xiao, Yaming Zou and Baoren Wei
Atoms 2026, 14(4), 30; https://doi.org/10.3390/atoms14040030 - 8 Apr 2026
Viewed by 252
Abstract
The energy-dependent population of fine quantum states in single electron capture (SEC) reflects the intrinsic collision dynamics. Here we report experimental studies of Ar7+ ions colliding with He in the energy range of 1.05–17.5 keV/u. Owing to the high resolution of a [...] Read more.
The energy-dependent population of fine quantum states in single electron capture (SEC) reflects the intrinsic collision dynamics. Here we report experimental studies of Ar7+ ions colliding with He in the energy range of 1.05–17.5 keV/u. Owing to the high resolution of a recoil-ion momentum spectrometer, the n-, l-, and spin-state electron capture populations are well resolved, and a strong energy dependence of the SEC cross sections is observed. Most importantly, a clear inversion of the cross-section ratio between the spin-resolved triplet and singlet 3s3d configurations is found, demonstrating a breakdown of spin statistics. Together with recent spin-resolved studies of C3+-He collisions (PRL 133, 173002 (2024)), these results suggest that the breakdown of spin statistics is likely a general feature of charge exchange in open-shell highly charged ion systems. Full article
(This article belongs to the Special Issue Electronic Dynamics in Atomic and Molecular Collisions)
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39 pages, 7931 KB  
Article
First-Principles Insights into Cr- and Mn-Doped Rocksalt ScN: Engineering Structural Stability and Magnetism
by Ahmad M. Alsaad
Magnetochemistry 2026, 12(4), 47; https://doi.org/10.3390/magnetochemistry12040047 - 7 Apr 2026
Viewed by 366
Abstract
The study presents a comprehensive first-principles investigation of the structural, electronic, and magnetic properties of rocksalt scandium nitride (ScN) and its Cr- and Mn-doped derivatives using spin-polarized density-functional theory within the GGA + U (UCr = 3.5 eV, UMn = 2.7 [...] Read more.
The study presents a comprehensive first-principles investigation of the structural, electronic, and magnetic properties of rocksalt scandium nitride (ScN) and its Cr- and Mn-doped derivatives using spin-polarized density-functional theory within the GGA + U (UCr = 3.5 eV, UMn = 2.7 eV) and HSE06 frameworks. Pristine ScN crystallizes in the cubic Fm3m structure and exhibits narrow-gap semiconducting behavior, with an indirect band gap of 0.82 eV obtained from hybrid-functional calculations, in excellent agreement with reported theoretical values. Substitutional doping with Cr and Mn introduces localized 3d states near the Fermi level, driving a transition toward spin-polarized metallic or half-metallic behavior accompanied by robust ferromagnetism. Density-of-states and band-structure analyses reveal that magnetism and charge transport in the doped systems are dominated by exchange-split transition-metal 3d states hybridized with N-2p orbitals. Total energy calculations confirm ferromagnetic ground states for both Cr- and Mn-doped ScN, with Mn substitution yielding stronger exchange stabilization and higher magnetic moments. Magnetocrystalline anisotropy energies, evaluated using the force-theorem approach, are found to be negligibly small, indicating weak anisotropy consistent with the moderate spin–orbit coupling strength in ScN-based nitrides. Nevertheless, symmetry breaking around dopant sites gives rise to a finite Dzyaloshinskii–Moriya interaction, leading to weak spin canting and non-collinear magnetic tendencies. The interplay between magnetic exchange coupling, spin–orbit interaction, and local inversion symmetry breaking positions of Cr- and Mn-doped ScN as promising dilute magnetic semiconductors with tunable spin polarization and chiral magnetic interactions, offering a viable platform for nitride-based spintronic and magneto-electronic applications. Full article
(This article belongs to the Section Magnetic Materials)
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31 pages, 1355 KB  
Article
A Closed-Loop PX–ISO Framework for Staged Day-Ahead Energy and Ancillary Clearing in Power Markets
by Lei Yu, Lingling An, Xiaomei Lin, Kai-Hung Lu and Hongqing Zheng
Processes 2026, 14(6), 1027; https://doi.org/10.3390/pr14061027 - 23 Mar 2026
Viewed by 392
Abstract
As modern power markets integrate more renewable generation, day-ahead energy clearing remains the central procurement step, while flexibility products are procured to ensure that the cleared energy schedule can be operated securely. This paper proposes a closed-loop framework linking the Power Exchange (PX) [...] Read more.
As modern power markets integrate more renewable generation, day-ahead energy clearing remains the central procurement step, while flexibility products are procured to ensure that the cleared energy schedule can be operated securely. This paper proposes a closed-loop framework linking the Power Exchange (PX) and the Independent System Operator (ISO) to bridge energy-market settlement and network-feasible operation. The PX performs staged day-ahead clearing with energy settled first, followed by aAutomatic generation control (AGC) and spinning reserve (SR) procured from the residual headroom of committed (energy-awarded) units. The ISO then validates the cleared schedule using an equivalent current injection (ECI)-based screening. This paper uses a single-period (single-hour) IEEE 30-bus case setting; multi-period scheduling and intertemporal constraints are not modeled. When congestion is detected, power-flow tracing identifies the main contributors and guides a minimal-change redispatch. The ISO-feasible dispatch is then sent back to the PX for re-clearing, aligning prices and welfare with an executable operating point. The resulting nonconvex clearing problems with valve-point effects and prohibited operating zones are solved by Artificial Protozoa Optimizer with Social Learning (APO–SL) and evaluated against representative metaheuristic baselines. IEEE 30-bus studies show that off-peak and average-load cases pass ISO screening directly, whereas the peak case tightens reserve headroom (SR capped at 39.08 MW) and triggers congestion. After ISO feedback and energy re-clearing, line loadings return within limits. The ISO-feasible dispatch changes the marginal accepted offer and lifts the MCP (3.73 → 4.38 $/MWh). The welfare value reported here follows the paper’s settlement-based definition (purchase total minus accepted offer cost), and it increases accordingly (113.77 → 190.17 $/h). Full article
(This article belongs to the Section Energy Systems)
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13 pages, 1358 KB  
Article
KKR-CPA Study of the Electronic and Magnetic Properties of Transition Metal-Doped AgZnF3 Perovskites
by Ayoub Koufi, Younes Ziat and Hamza Belkhanchi
Magnetism 2026, 6(1), 14; https://doi.org/10.3390/magnetism6010014 - 23 Mar 2026
Viewed by 288
Abstract
In this work, the electronic, structural, and magnetic properties of Ti-, V-, Cr-, Mn-, and Ni-doped AgZnF3 perovskites are systematically investigated using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation (KKR-CPA) within the generalized gradient approximation (GGA). Transition metal dopants (Ti [...] Read more.
In this work, the electronic, structural, and magnetic properties of Ti-, V-, Cr-, Mn-, and Ni-doped AgZnF3 perovskites are systematically investigated using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation (KKR-CPA) within the generalized gradient approximation (GGA). Transition metal dopants (Ti and V) at a concentration of 5% substituting the Zn site introduce 3d states that cross the Fermi level in the majority-spin channel, resulting in half-metallic behavior. Ferromagnetic stability is predicted for Ti-, V-, Cr-, and Mn-doped AgZnF3 at a doping concentration of 5%. The TM-doped AgZnF3 alloys exhibit noticeable variations in exchange splitting between the t2g and e_g states of the TM-3d orbitals. In Ti-doped AgZnF3, the calculated spin magnetic moments follow the expected trend based on crystal-field splitting theory. Furthermore, a clear correlation is observed between the nature of the transition metal dopant (Ti, V, Cr, Mn, and Ni) and the total magnetic moment of the system. Full article
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12 pages, 2042 KB  
Article
Performance Characterization and Optimization of a Miniaturized SERF Atomic Magnetometer via Tunable Laser Power
by Peng Shi, Chen Zuo, Qisong Li and Shulin Zhang
Sensors 2026, 26(6), 2000; https://doi.org/10.3390/s26062000 - 23 Mar 2026
Viewed by 393
Abstract
Spin-exchange relaxation-free (SERF) atomic magnetometers have emerged as highly promising candidates for ultra-weak magnetic field detection, particularly in biomagnetic imaging, owing to their exceptional sensitivity, amenability to miniaturization, and near-room-temperature operation. While current miniaturized magnetometers typically employ laser chips with fixed optical power, [...] Read more.
Spin-exchange relaxation-free (SERF) atomic magnetometers have emerged as highly promising candidates for ultra-weak magnetic field detection, particularly in biomagnetic imaging, owing to their exceptional sensitivity, amenability to miniaturization, and near-room-temperature operation. While current miniaturized magnetometers typically employ laser chips with fixed optical power, the quantitative impact of laser power on critical performance metrics remains to be fully elucidated. This study systematically investigates the influence of laser power on sensitivity, bandwidth, and dynamic range by incorporating considerations of power broadening, saturation absorption, and noise constraints. A miniaturized probe, integrated with an actively controlled vertical-cavity surface-emitting laser (VCSEL), was developed for experimental validation. Theoretical and experimental results consistently demonstrate that as optical power increases, sensitivity exhibits a non-monotonic dependence, whereas both bandwidth and dynamic range manifest a monotonic upward trend, aligning well with theoretical simulations. The optimized sensor achieved a peak sensitivity of 16 fT/√Hz at 300 μW, while the bandwidth and dynamic range reached 230 Hz and ±5.4 nT at 500 μW, respectively. This work establishes a robust theoretical and experimental framework for the comprehensive performance optimization of laser-integrated miniaturized atomic magnetometers. Full article
(This article belongs to the Section Optical Sensors)
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18 pages, 5493 KB  
Article
First-Principles Study of Electronic, Optical, and Magnetic Properties of Fe-, Co-, and Ni-Doped MoS2 Monolayer
by Soufyane Aqiqi, Elarbi Laghchim and C. A. Duque
Optics 2026, 7(2), 21; https://doi.org/10.3390/opt7020021 - 23 Mar 2026
Viewed by 436
Abstract
In this work, a comprehensive first-principles investigation of the electronic, magnetic, and optical properties of pristine and Fe-, Co-, and Ni-doped MoS2 monolayers is presented within the framework of density functional theory. Substitutional transition-metal doping at the Mo site is shown to [...] Read more.
In this work, a comprehensive first-principles investigation of the electronic, magnetic, and optical properties of pristine and Fe-, Co-, and Ni-doped MoS2 monolayers is presented within the framework of density functional theory. Substitutional transition-metal doping at the Mo site is shown to induce spin-polarized impurity states within the pristine band gap, leading to significant modifications of the electronic structure, including metallic, semimetallic, or half-metallic behavior depending on the dopant species. The calculated spin-resolved band structures and projected density of states reveal a strong hybridization between the dopant 3d orbitals and the Mo-4d/S-3p states, giving rise to sizable magnetic moments and dopant-dependent exchange splitting. When spin–orbit coupling is included, the combined effect of exchange interactions and relativistic effects leads to an effective valley splitting at the K and K points, whose magnitude and sign depend sensitively on the chemical nature of the dopant. Optical properties are analyzed within a linear-response framework, showing pronounced dopant-induced modifications of the optical spectra. While the pristine monolayer exhibits well-defined excitonic features, transition-metal substitution introduces low-energy optical transitions associated with impurity-related states. Consequently, the exciton binding energies estimated from the difference between the electronic and optical gaps are interpreted as effective measures of dopant-induced perturbations to optical transitions, rather than as quantitative many-body excitonic binding energies in the strict sense. These results provide microscopic insight into the interplay between magnetism, spin–orbit coupling, and optical response in doped MoS2 monolayers, highlighting the potential of transition-metal substitution as a route to engineer spin- and valley-dependent phenomena in two-dimensional materials. Full article
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14 pages, 28158 KB  
Article
Surface-Collision Analysis of Microscale-Confined 129Xe in Pyrex Vapor Cells Based on Stem-Transport and Gradient Diffusion Dynamics
by Shangtao Jiang, Tengyue Wang, Xuyang Qiu and Heng Yuan
Materials 2026, 19(5), 956; https://doi.org/10.3390/ma19050956 - 1 Mar 2026
Viewed by 354
Abstract
Surface collisions at Pyrex walls limit the spin coherence in nuclear magnetic resonance gyroscopes (NMRG) vapor cells, while the cavity–stem junction introduces geometry dependent exchange that perturbs the transverse spin relaxation time T2 of 129Xe atoms. We combine T2 measurements [...] Read more.
Surface collisions at Pyrex walls limit the spin coherence in nuclear magnetic resonance gyroscopes (NMRG) vapor cells, while the cavity–stem junction introduces geometry dependent exchange that perturbs the transverse spin relaxation time T2 of 129Xe atoms. We combine T2 measurements with Monte Carlo simulations of confined diffusion and surface collisions to decompose the relaxation of Xe atoms and derive a cavity–stem geometry correction for wall relaxation. A structural coupling factor (SCF) is introduced to compress stem length and aperture diameter into a dimensionless metric for diffusion-limited mixing, enabling prediction of the transverse relaxation rate versus geometry. Across eight simulated configurations, the model yields R2=0.982 and agrees with experiments within 7–9%, comparable to the measurement uncertainty (±0.015s1). Using the validated framework, geometry optimization reduces the relaxation rate from 0.225 to 0.131s1 (a 41.8% improvement). This Pyrex surface-collisional analysis provides an in-situ, T2-based route to compare effective surface depolarization across fabrication and surface-treatment protocols while accounting for cavity–stem coupling. Full article
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19 pages, 1714 KB  
Article
Effects of Uniaxial Distortion on the Stability of Square Skyrmion Crystals in Noncentrosymmetric Magnets
by Satoru Hayami
Crystals 2026, 16(2), 139; https://doi.org/10.3390/cryst16020139 - 14 Feb 2026
Viewed by 501
Abstract
We theoretically investigate the influence of uniaxial distortion on the stability of square skyrmion crystals, which are described as double-Q spin textures composed of two orthogonal spiral modulations, in noncentrosymmetric magnets. An effective spin model incorporating momentum-resolved frustrated exchange interactions and Dzyaloshinskii–Moriya [...] Read more.
We theoretically investigate the influence of uniaxial distortion on the stability of square skyrmion crystals, which are described as double-Q spin textures composed of two orthogonal spiral modulations, in noncentrosymmetric magnets. An effective spin model incorporating momentum-resolved frustrated exchange interactions and Dzyaloshinskii–Moriya (DM) interactions is analyzed using simulated-annealing calculations at low temperatures. The results reveal that uniaxial distortion drives a transformation from the double-Q square skyrmion crystal to a single-Q tilted conical spiral or vertical spiral state. The low-temperature phase diagrams further show that the stability region of the skyrmion crystal expands with increasing the magnitude of the DM interaction, making the phase more robust against the uniaxial anisotropy between exchange interactions parallel and perpendicular to the distortion axis. This study provides insight into how uniaxial strain and DM interactions cooperatively influence the formation and stability of skyrmion crystal phases in noncentrosymmetric magnetic systems. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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12 pages, 14794 KB  
Article
A Low-Cost, High-Power, Fast-Tunable Narrow-Linewidth Laser with Terminal Feedback for Rubidium Optical Pumping
by Yifeng Xiang, Keyan Wu, Siyu Chen, Liangyong Wu and Haiyang Yan
Photonics 2026, 13(2), 182; https://doi.org/10.3390/photonics13020182 - 12 Feb 2026
Viewed by 519
Abstract
We report the development of a high-power, cost-effective, and rapidly tunable laser system optimized for rubidium optical pumping in spin-exchange optical pumping (SEOP) applications. The system combines a spectrally narrowed diode laser bar with a low-cost yet high-stability thermal-management architecture based on consumer-grade [...] Read more.
We report the development of a high-power, cost-effective, and rapidly tunable laser system optimized for rubidium optical pumping in spin-exchange optical pumping (SEOP) applications. The system combines a spectrally narrowed diode laser bar with a low-cost yet high-stability thermal-management architecture based on consumer-grade CPU liquid-cooling components. Wavelength narrowing and fast tuning are achieved by linearly translating a chirped volume Bragg grating (CVBG), providing mode-hop-free, continuous wavelength control without relying on slow thermal tuning mechanisms. Long-term wavelength stability is ensured through a terminal proportional–integral–derivative (PID) feedback loop that locks the laser directly to the rubidium absorption spectrum in the pumping cell, rather than to an internal reference. Operating near 795 nm, the laser delivers up to 40 W of optical power with a measured linewidth of approximately 0.15 nm. The system supports rapid wavelength agility over a continuous tuning range of 794.73±0.24 nm and exhibits stable spectral performance during extended operation. Owing to its compact design, fast response, and substantially lower cost than conventional volume-grating-based systems, this laser architecture provides a practical and scalable solution for SEOP and other precision atomic and spectroscopic applications that require high power, a narrow linewidth, and robust wavelength stability. Full article
(This article belongs to the Section Lasers, Light Sources and Sensors)
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22 pages, 4853 KB  
Article
Tuning Magnetic Anisotropy and Spin Relaxation in CoFe2O4–MWCNT Nanocomposites via Interfacial Exchange Coupling
by Prashant Kumar, Jiten Yadav, Arjun Singh, Sumit Kumar, Rajni Verma and Saurabh Pathak
J. Compos. Sci. 2026, 10(2), 90; https://doi.org/10.3390/jcs10020090 - 9 Feb 2026
Viewed by 1160
Abstract
Interfacial coupling between CoFe2O4 (CFO) nanoparticles and oxidatively functionalized multi-walled carbon nanotubes (MWCNTs) enables controlled modulation of structural, optical, and spin dynamic properties in CFO–MWCNT nanocomposites. The solvothermal synthesis promotes nucleation of CFO on –COOH/–OH functional groups, ensuring uniform anchoring [...] Read more.
Interfacial coupling between CoFe2O4 (CFO) nanoparticles and oxidatively functionalized multi-walled carbon nanotubes (MWCNTs) enables controlled modulation of structural, optical, and spin dynamic properties in CFO–MWCNT nanocomposites. The solvothermal synthesis promotes nucleation of CFO on –COOH/–OH functional groups, ensuring uniform anchoring along the nanotube surface. X-ray diffraction confirms a cubic spinel phase with lattice expansion from 8.385 Å to 8.410 Å and crystallite growth from 18 nm to 25 nm, reflecting strain transfer and partial nanoparticle coalescence at the carbon interface. The observed bandgap narrowing from 2.72 eV to 2.50 eV, confirmed via Tauc plot analysis, is attributed to localized defect states induced by charge delocalization and orbital hybridization at the interface of the CFO–MWCNT boundary. DC magnetometry reveals a reduction in saturation magnetization from 46 emu/g to 35 emu/g due to diamagnetic dilution and interfacial spin canting, while coercivity decreases from 852 Oe to 841 Oe, indicating modified pinning and domain-wall dynamics associated with exchange-coupled interfaces. Ferromagnetic resonance measurements show a resonance field shift from 3495 G to 3500 G and an increase in the Landé g-factor from 1.97 to 2.00, signifying altered spin–orbit coupling and enhanced local magnetic perturbations. The spin–lattice relaxation time increases from 1.41 ns to 1.59 ns, demonstrating suppressed phonon-mediated relaxation and improved spin coherence across the hybrid network. Spin density rises from 3.72 × 1022 to 4.58 × 1022 spins/g, confirming an increase in unpaired electrons generated by orbital asymmetry at the interface. The anisotropy field and effective magnetocrystalline anisotropy constant exhibit pronounced modulation, evidencing strengthened exchange stiffness and altered Co2+/Fe3+ superexchange pathways. These results establish CFO-MWCNT nanocomposites as tuneable platforms for spintronic logic elements, high-frequency microwave attenuation, and magneto-optical device architectures. Full article
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23 pages, 3517 KB  
Article
Finite-Size Thermodynamics of the Two-Dimensional Dipolar Q-Clock Model
by Michel Aguilera, Francisco J. Peña, Eugenio E. Vogel and Patricio Vargas
Entropy 2026, 28(2), 181; https://doi.org/10.3390/e28020181 - 5 Feb 2026
Viewed by 473
Abstract
We present a fully controlled thermodynamic study of the two-dimensional dipolar Q-state clock model on small square lattices with free boundaries, combining exhaustive state enumeration with noise-free evaluation of canonical observables. We resolve the complete energy spectra and degeneracies [...] Read more.
We present a fully controlled thermodynamic study of the two-dimensional dipolar Q-state clock model on small square lattices with free boundaries, combining exhaustive state enumeration with noise-free evaluation of canonical observables. We resolve the complete energy spectra and degeneracies {En,cn} for the Ising case (Q=2) on lattices of size L=3,4,5, and for clock symmetries Q=4,6,8 on a 3×3 lattice, tracking how the competition between exchange and long-range dipolar interactions reorganizes the low-energy manifold as the ratio α=D/J is varied. Beyond a finite-size characterization, we identify several qualitatively new thermodynamic signatures induced solely by dipolar anisotropy. First, we demonstrate that ground-state level crossings generated by long-range interactions appear as exact zeros of the specific heat in the limit C(T0,α), establishing an unambiguous correspondence between microscopic spectral rearrangements and macroscopic caloric response. Second, we show that the shape of the associated Schottky-like anomalies encodes detailed information about the degeneracy structure of the competing low-energy states: odd lattices (L=3,5) display strongly asymmetric peaks due to unbalanced multiplicities, whereas the even lattice (L=4) exhibits three critical values of α accompanied by nearly symmetric anomalies, reflecting paired degeneracies and revealing lattice parity as a key organizing principle. Third, we uncover a symmetry-driven crossover with increasing Q: while the Q=2 and Q=4 models retain sharp dipolar-induced critical points and pronounced low-temperature structure, for Q6, the energy landscape becomes sufficiently smooth to suppress ground-state crossings altogether, yielding purely thermal specific-heat maxima. Altogether, our results provide a unified, size- and symmetry-resolved picture of how long-range anisotropy, lattice parity, and discrete rotational symmetry shape the thermodynamics of mesoscopic magnetic systems. We show that dipolar interactions alone are sufficient to generate nontrivial critical-like caloric behavior in clusters as small as 3×3, establishing exact finite-size benchmarks directly relevant for van der Waals nanomagnets, artificial spin-ice arrays, and dipolar-coupled nanomagnetic structures. Full article
(This article belongs to the Section Thermodynamics)
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26 pages, 5501 KB  
Review
Ligand-Induced Self-Assembly of Clusters by Pyridine–Amine–Carboxylate Frameworks of 3D Transition Metals: Structural and Magnetic Aspects
by Amit Rajput, Akram Ali, Himanshu Arora and Akhilesh Kumar
Magnetochemistry 2026, 12(2), 22; https://doi.org/10.3390/magnetochemistry12020022 - 4 Feb 2026
Viewed by 1643
Abstract
The ligand-driven self-assembly of metal clusters offers a powerful strategy for constructing discrete molecular architectures with tunable magnetic and structural properties. By judiciously selecting appropriate multidentate ligands, researchers can direct the formation of polynuclear metal assemblies with diverse nuclearities, geometries, and topologies. Coordination-driven [...] Read more.
The ligand-driven self-assembly of metal clusters offers a powerful strategy for constructing discrete molecular architectures with tunable magnetic and structural properties. By judiciously selecting appropriate multidentate ligands, researchers can direct the formation of polynuclear metal assemblies with diverse nuclearities, geometries, and topologies. Coordination-driven processes commonly stabilize such assemblies where multidentate ligands operate as templates and linkers. These will also determine how the metal centers are arranged in space and how they connect to each other. These clusters can take on shapes that range from basic bridging dimers to more complicated icosahedral and cubane-type motifs. They often have excellent symmetry and strong frameworks. Magnetically, these clusters are a great place to study exchange interactions, spin frustration, and the behavior of single-molecule magnets (SMMs). The magnetic characteristics depend on things like the type of metal ions, the bridging ligands, the overall shape, and the local coordination environment. Interestingly, a large number of ligand-assembled clusters exhibit high spin ground states and slow magnetization relaxation, which makes them attractive options for quantum information storage and molecular spintronic devices. This review connects coordination chemistry, supramolecular design, and molecular magnetism of pyridine–amine–carboxylate frameworks, offering insights into fundamental magnetic phenomena and guiding the development of next-generation functional materials. Continued exploration of ligand frameworks and metal combinations holds the potential to yield novel clusters with enhanced or unprecedented magnetic characteristics. Full article
(This article belongs to the Special Issue Stimuli-Responsive Magnetic Molecular Materials—2nd Edition)
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36 pages, 3688 KB  
Article
Quantum Chemistry of Strongly Correlated Electron Systems: Quantum Coherence of Open-Shell Molecular Systems Constructed by Chemical Methods: Organometallic Conjugation and Confinement
by Takashi Kawakami, Satoru Yamada, Masateru Taniguchi and Kizashi Yamaguchi
Quantum Rep. 2026, 8(1), 10; https://doi.org/10.3390/quantum8010010 - 31 Jan 2026
Viewed by 909
Abstract
Electronic and spin structures of open-shell molecules and clusters were investigated as possible building blocks for the construction of one- and two-dimensional quantum spin alignment systems which exhibited several characteristic quantum properties of strongly correlated electron systems: high-Tc superconductivity, quantum spin [...] Read more.
Electronic and spin structures of open-shell molecules and clusters were investigated as possible building blocks for the construction of one- and two-dimensional quantum spin alignment systems which exhibited several characteristic quantum properties of strongly correlated electron systems: high-Tc superconductivity, quantum spin coherence, entanglement, etc. Ab initio calculations were performed to elucidate effective exchange integrals (J) for 3d transition metal oxides, providing the J-model for high-Tc superconductivity. Theoretical investigations such as Monte Carlo simulation, molecular mechanics and quantum mechanical calculations were performed to elucidate effective chemical procedures for through-bond alignments of open-shell transition metal ions by organometallic conjugation and through-space confinements of molecular spins such as molecular oxygen by molecular confinement materials. Theoretical simulations have elucidated the importance of appropriate confinement materials for alignments of molecular spins desired for quantum coherence and quantum sensing. Equivalent transformations among coherent states of superconductors, trapped ion, neutral atom, molecular spin, molecular exciton, etc., are also discussed on theoretical and conceptual grounds such as quantum entanglement and decoherence. Full article
(This article belongs to the Special Issue Exclusive Feature Papers of Quantum Reports in 2024–2025)
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