arXiv subjects

Konstantin Skokov

Publications and source records attributed to Konstantin Skokov.

At least 19 recordsLinked to original sources

arXiv2025

A voltage-responsive strongly dipolar-coupled macrospin network with emergent dynamics for computing

Emergent behavior, which arises from local interactions between simple elements, is pervasive in nature. It underlies the energy-efficient computing in our brains. However, realizing such dynamics in artificial materials, particularly under low-energy stimuli, remains a fundamental challenge. While dipole-dipole interactions are typically suppressed in magnetic storage, here we harness and amplify them to construct a strongly dipolar-coupled network of SmCo5 macrospins at wafer scale, which can exhibit intrinsic interaction-driven collective dynamics in response to voltage pulses. The network combines three essential ingredients: strong dipolar coupling by large single-domain macrospin, giant voltage control of coercivity over nearly 1000-fold, and disordered network topology with frustrated Ising-like energy landscape. When stimulated by 1 V pulses, the network enters a regime where interaction-driven magnetic behaviors emerge, including spontaneous demagnetization, greatly enhanced magnetization modulation, reversible freeze and resume evolution and stochastic convergence toward low-energy magnetic configurations. All these behaviors are completely absent at the single-nanomagnet level. Furthermore, by constructing micromagnetic models of the strongly dipolar-coupled macrospin networks, we show that the resulting nonlinear, high-dimensional collective dynamics, intrinsic to strongly-interacting systems, can enable accurate chaotic Mackey-Glass prediction and multiclass drone-signal classification. Our work establishes the voltage-responsive strongly-coupled SmCo5 network as a mesoscopic platform for probing emergent magnetic dynamics previously inaccessible under ambient conditions. It also suggests a fundamental distinct route towards scalable, low-voltage computing, one rooted in native physical interaction-driven collective dynamics at the network level.

cond-mat.mtrl-sci↗

arXiv2025

New insights into the magnetism of DyCo$_{5}$

In this work, we present the first magnetization measurements of DyCo$_5$ single crystals in magnetic fields up to 14 T, spanning a temperature range up to 600 K. Our investigation reveals several unique features, including a significant magnetization anisotropy and an observed minimum in spontaneous magnetization near the compensation point, phenomena not previously reported. This work also uncovers the complex magnetic behavior of DyCo$_5$, with a pronounced interplay between the Dy and Co sublattices, each exhibiting distinct temperature-dependent magnetic properties. The combination of dynamical mean-field theory (DMFT), atomistic spin-dynamics (ASD) simulations, and the Effective Spin Model (ESM) for rare-earth compounds successfully explains the experimental data across both low and high temperatures. Our theoretical approach not only explains the observed magnetic anisotropy and the behavior near the compensation temperature but also successfully reproduces key experimental features such as the saturation behavior at high fields and the evolution of the magnetic moment at different temperatures.

cond-mat.mtrl-sci↗

arXiv2025

Ultralow-Cost magnetocaloric compound for Cryogenic Cooling

Cost-effective materials are essential for large-scale deployment. The emerging magnetocaloric hydrogen liquefaction technology could transform the liquid hydrogen industry due to its potential in achieving higher efficiency. Most studies of the cryogenic magnetocaloric effect (MCE) have focused on resource-critical rare-earth-based compounds. Here we report on an ionic magnetocaloric compound FeCl$_2$ which is based on ultralow-cost elements, as a candidate working material for hydrogen liquefaction. FeCl$_2$ shows both inverse and conventional MCE. From 0 to 1.5 T, the inverse effect yields a positive magnetic entropy change ($ΔS_T$) of about 5 J/kg/K near 20 K, then declines toward zero at higher fields. In contrast, the conventional (negative) response strengthens with field. The $ΔS_T$ reaches 18.6 J/kg/K near 20 K in magnetic fields of 5 T. This value exceeds most light rare-earth-based compounds and approaches that of heavy rare-earth-based compounds. In magnetic fields of 5 T, the adiabatic temperature change reaches about 3.6 K. The large $ΔS_T$, along with the low cost of the elements in FeCl$_2$, are prerequisites for inexpensive industrial-scale production, giving the prospect of a practical magnetocaloric candidate for hydrogen liquefaction in the 20 $\sim$ 77 K temperature window.

cond-mat.mtrl-sci↗

arXiv2025

Control of Covalent Bond Enables Efficient Magnetic Cooling

Magnetic cooling, harnessing the temperature change in matter when exposed to a magnetic field, presents an energy-efficient and climate-friendly alternative to traditional vapor-compression refrigeration systems, with a significantly lower global warming potential. The advancement of this technology would be accelerated if irreversible losses arising from hysteresis in magnetocaloric materials were minimized. Despite extensive efforts to manipulate crystal lattice constants at the unit-cell level, mitigating hysteresis often compromises cooling performance. Herein, we address this persistent challenge by forming Sn(Ge)3/Sn(Ge)3 bonds within the unit cell of the Gd5Ge4 compound. Our approach enables an energetically favorable phase transition, leading to the elimination of thermal hysteresis. Consequently, we achieve a synergistic improvement of two key magnetocaloric figures of merit: a larger magnetic entropy change and a twofold increase in the reversible adiabatic temperature change (from 3.8 to 8 K) in the Gd5Sn2Ge2 compound. Such synergies can be extended over a wide temperature range. This study demonstrates a paradigm shift in mastering hysteresis toward simultaneously achieving exceptional magnetocaloric metrics and opens up promising avenues for gas liquefaction applications in the longstanding pursuit of sustainable energy solutions.

cond-mat.mtrl-sci↗

arXiv2025

Coercivity influence of nanostructure in SmCo-1:7 magnets: Machine learning of high-throughput micromagnetic data

As a pinning-controlled permanent magnet, tailoring the cellular nanostructure of samarium-cobalt-based 1:7-type (SmCo-1:7) magnets remains crucial for improving magnetic performance. Jointing forward and inverse machine learning models with the high-throughput micromagnetic simulations (42,300 runs), we identify the nanostructural and magnetic features that are most effective for coercivity, combining both nucleation and pinning mechanisms. Sensitivity analyses reveal that the 1:5-phase enhances coercivity by providing high anisotropy, and the Z-phase strengthens pinning through fluctuations in domain wall energy. Cu additions in the 1:5-phase significantly reduce coercivity, while Fe substitutions in the 2:17-phase modestly reduce coercivity but improve pinning locally and increase saturation magnetization. Among all examined features, magnetocrystalline misorientation emerges as the dominant factor. Finally, the framework enables the inverse design of nanostructures with prescribed coercivity, demonstrating a computationally cost-effective toolkit for guiding the performance tailoring of SmCo-1:7 magnets.

cond-mat.mtrl-sci↗

arXiv2025

Direct observation of nanoscale pinning centers in Ce(Co0.8Cu0.2)5.4 permanent magnets

Permanent magnets containing rare earth elements are essential components for the electrification of society. Ce(Co1-xCux)5 permanent magnets are a model system known for their substantial coercivity, yet the underlying mechanism remains unclear. Here, we investigate Ce(Co0.8Cu0.2)5.4 magnets with a coercivity of ~1 T. Using transmission electron microscopy (TEM) and atom probe tomography (APT), we identify a nanoscale cellular structure formed by spinodal decomposition. Cu-poor cylindrical cells (~5-10 nm in diameter, ~20 nm long) have a disordered CeCo5-type structure and a composition Ce(Co0.9Cu0.1)5.3. Cu-rich cell boundaries are ~ 5 nm thick and exhibit a modified CeCo5 structure, with Cu ordered on the Co sites and a composition Ce(Co0.7Cu0.3)5.0. Micromagnetic simulations demonstrate that the intrinsic Cu concentration gradients up to 12 at.% Cu/nm lead to a spatial variation in magnetocrystalline anisotropy and domain wall energy, resulting in effective pinning and high coercivity. Compared to Sm2Co17-type magnets, Ce(Co0.8Cu0.2)5.4 displays a finer-scale variation of conventional pinning with lower structural and chemical contrast in its underlying nanostructure. The identification of nanoscale chemical segregation in nearly single-phase Ce(Co0.8Cu0.2)5.4 magnets provides a microstructural basis for the long-standing phenomenon of "giant intrinsic magnetic hardness" in systems such as SmCo5-xMx, highlighting avenues for designing rare-earth-lean permanent magnets via controlled nanoscale segregation.

cond-mat.mtrl-sci↗

arXiv2025

Design of thermal hysteresis in nonstoichiometric alloys with giant magnetocaloric effect

The non-stoichiometric Fe$_2$P-type (FeMnP$_{0.5}$Si$_{0.5}$)$_{1-x}$(FeV)$_{x}$ alloys ( $x=0, 0.01$, $0.02$, and $0.03$) have been investigated as potential candidates for magnetic refrigeration near room temperature. The magnetic ordering temperature decreases with increasing FeV concentration, $x$, which can be ascribed to decreased ferromagnetic coupling strength between the magnetic atoms. The strong magnetoelastic coupling in these alloys results in large values of the isothermal entropy change ($ΔS_M$); $15.7$ J/kgK, at $2$ T magnetic field for the $x = 0$ alloy. $ΔS_M$ decreases with increasing $x$. Results from M{ö}ssbauer spectroscopy reveal that the average hyperfine field (in the ferromagnetic state) and average center shift (in the paramagnetic state) have the same decreasing trend as $ΔS_M$. The thermal hysteresis ($ΔT_{hyst}$) of the magnetic phase transition decreases with increasing $x$, while the mechanical stability of the alloys improves due to the reduced lattice volume change across the magnetoelastic phase transition. The adiabatic temperature change $ΔT_{ad}$, which highly depends on $ΔT_{hyst}$, is $1.7$ K at $1.9$ T applied field for the $x = 0.02$ alloy.

cond-mat.mtrl-sci↗

arXiv2025

Effect of Ag nano-additivation on microstructure formation in Nd-Fe-B magnets built by laser powder bed fusion

Laser powder bed fusion (PBF-LB/M) enables the near-net shape production of permanent magnets with complex geometry while reducing material waste. However, controlling the microstructure and optimizing magnetic properties remain challenging due to rapid solidification and intrinsic heat treatment effects occurring during both inter-layer and intra-layer processing. Surface additivation of the feedstock powder with Ag nanoparticles (NPs) is a concept that has been shown to increase the coercivity of PBF-LB/M-produced Nd-Fe-B magnets. Using atom probe tomography (APT) and transmission electron microscopy (TEM), we reveal that Ag nano-additivation promotes heterogeneous nucleation of the Nd2Fe14B phase, leading to refined, equiaxed grains and increased stability of the Ti-Zr-B-rich intergranular phase. The intrinsic heat treatment, influenced by layer-wise processing, further affects the distribution of Ag-rich regions, impacting grain growth and intergranular phase composition across different regions of the melt pool. Compared to the unadditivated sample, the Ag-additivated sample exhibits a significantly finer grain structure and a changed intergranular phase, which contribute to enhanced domain wall pinning and coercivity. These microstructural changes directly modify the magnetic domain structure, as evidenced by Lorentz transmission electron microscopy (TEM). Our results highlight that the interplay between nano-additivation and in-process heat treatment provides a novel pathway for tailoring the microstructure and enhancing the magnetic performance of permanent magnets.

cond-mat.mtrl-sci↗

arXiv2025

Voltage-driven 90 switching of bulk perpendicular magnetic anisotropy in ferrimagnets

Unravelling the mechanism behind bulk perpendicular magnetic anisotropy (PMA) in amorphous rare earth-transition metal films has proven challenging. This is largely due to the inherent complexity of amorphous structure and the entangled potential origins arising from microstructure and atomic structure factors. Here, we present an approach wherein the magneto-electric effect is harnessed to induce 90° switching of bulk PMA in Tb-Co films to in-plane directions by applying voltages of only -1.2 V. This manipulation is achieved by voltage-driven insertion of hydrogen atoms into interstitial sites between Tb and Co atoms, which serves as a perturbation to local atomic structure. Using angle-dependent X-ray magnetic circular dichroism, we find that the anisotropy switching originates from the distortion of crystal field around Tb which reorients the alignment of Tb orbital moments. Initially aligned along Tb-Co bonding directions, the easy magnetization axis undergoes reorientation and switches by 90°, as substantiated by ab-initio calculations. Our study not only concludes the atomic origin of Tb-Co atom bonding configuration in shaping bulk PMA, but also establishes the groundwork for electrically programmable ferrimagnetic spintronics, such as controlling domain wall motion and programming artificial spin textures.

cond-mat.mtrl-sci↗

arXiv2024

A matter of performance & criticality: a review of rare-earth-based magnetocaloric intermetallic compounds for hydrogen liquefaction

The low efficiency of conventional liquefaction technologies based on the Joule-Thomson expansion makes liquid hydrogen currently not attractive enough for large-scale energy-related technologies that are important for the transition to a carbon-neutral society. Magnetocaloric hydrogen liquefaction has great potential to achieve higher efficiency and is therefore a crucial enabler for affordable liquid hydrogen. Cost-effective magnetocaloric materials with large magnetic entropy and adiabatic temperature changes in the temperature range of 77 $\sim$ 20 K under commercially practicable magnetic fields are the foundation for the success of magnetocaloric hydrogen liquefaction. Heavy rare-earth-based magnetocaloric intermetallic compounds generally show excellent magnetocaloric performances, but the heavy rare-earth elements (Gd, Tb, Dy, Ho, Er, and Tm) are highly critical in resources. Yttrium and light rare-earth elements (La, Ce, Pr, and Nd) are relatively abundant, but their alloys generally show less excellent magnetocaloric properties. A dilemma appears: higher performance or lower criticality? In this review, we study how cryogenic temperature influences magnetocaloric performance by first reviewing heavy rare-earth-based intermetallic compounds. Next, we look at light rare-earth-based, "mixed" rare-earth-based, and Gd-based intermetallic compounds with the nature of the phase transition order taken into consideration, and summarize ways to resolve the dilemma.

cond-mat.mtrl-sci↗

arXiv2024

The role of Debye temperature in achieving large adiabatic temperature changes at cryogenic temperatures: a case study on $Pr_2In$

The excellent magnetic entropy change ($ΔS_T$) in the temperature range of 20 $\sim$ 77 K due to the first-order phase transition makes $Pr_2In$ an intriguing candidate for magnetocaloric hydrogen liquefaction. As an equally important magnetocaloric parameter, the adiabatic temperature change ($ΔT_{ad}$) of $Pr_2In$ associated with the first-order phase transition has not yet been reported. In this work, the $ΔT_{ad}$ of $Pr_2In$ is obtained from heat capacity measurements: 2 K in fields of 2 T and 4.3 K in fields of 5 T. While demonstrating a $ΔT_{ad}$ that is not as impressive as its remarkable $ΔS_T$, $Pr_2In$ exhibits an unusual low Debye temperature ($T_D$) of around 110 K. Based on these two observations, an approach that combines the mean-field and Debye models is developed to study the correlation between $ΔT_{ad}$ and $T_D$. The role of $T_D$ in achieving large $ΔT_{ad}$ is revealed: materials with higher $T_D$ tend to exhibit larger $ΔT_{ad}$, particularly in the cryogenic temperature range. This discovery explains the absence of an outstanding $ΔT_{ad}$ in $Pr_2In$ and can serve as a tool for designing or searching materials with both a large $ΔS_T$ and a $ΔT_{ad}$.

cond-mat.mtrl-sci↗

arXiv2023

Magneto-active composites with locally tailored stiffness produced by laser powder bed fusion

Additive manufacturing technologies enable the production of complex and bioinspired shapes using magneto-responsive materials, which find diverse applications in soft robotics. Particularly, the development of composites with controlled gradients in mechanical properties offers new prospects for advancements in magneto-active materials. However, achieving such composites with gradients typically involves complex multi-material printing procedures. In this study, a single-step laser powder bed fusion (LPBF) process is proposed that enables precise local adjustments of the mechanical stiffness within magneto-active composites. By utilizing distinct laser parameters in specific regions of a composite containing thermoplastic polyurethane and atomized magnetic powder derived from hard magnetic Nd-Fe-B, the stiffness of the composite can be modified within the range of 2 to 22 MPa. Various magneto-responsive actuators with locally tailored stiffness are fabricated and their magnetic performance is investigated. The enhanced response exhibited by actuators with locally adjusted mechanical properties in comparison to their homogeneous counterparts with identical geometries is shown. As a demonstration of a biomedical application, a magnetically responsive stent with localized adjustment is presented with the ability to meet specific requirements in terms of geometry and local stiffness based on an individual's anatomy and disease condition. The proposed method presents an approach for creating functionally graded materials using LPBF, not only for magneto-active materials but also for several other structural and functional materials.

physics.app-ph↗

arXiv2023

Influence of amorphous phase on coercivity in SmCo5-Cu nanocomposites

Severe plastic deformation of powder blends consisting of SmCo5-Cu results in magnetically hardened nanocomposite bulk materials. The microstructure is continuously refined with increasing torsional deformation, yet, coercivity saturates at a certain level of strain. Transmission electron microscopy (TEM) investigation of the microstructure reveals a partial amorphization of the SmCo5 phase due to high-pressure torsion by 20 applied rotations. In this amorphous matrix nanocrystals are embedded. The effect of these experimentally observed microstructural features on the magnetic properties are investigated by micromagnetic simulations, which show that an increasing volume fraction of nanocrystals is beneficial for higher coercivities. For a fixed volume fraction of nanocrystals the simulations reveal an increasing coercivity with decreasing the size of the nanocrystals due to increasing number of interfaces acting as pinning sites. Furthermore, our micromagnetic simulations disclose the mechanisms of the saturation and decline of magnetic hardening due to the strain induced by high-pressure torsion. The calculated coercivity fits very well to the experimentally observed coercivity of Hc=1.34 T. The knowledge can also be used to develop and provide optimization strategies from the microstructure perspective.

cond-mat.mtrl-sci↗

arXiv2023

Laser Powder Bed Fusion of anisotropic Nd-Fe-B bonded magnets utilizing an in situ mechanical alignment approach

Nd-Fe-B bonded magnets are an important class of permanent magnets, employed in many technological sectors. The Additive Manufacturing (AM) processes enables the fabrication of net-shape bonded magnets with complex geometries, allowing to tailor their magnetic stray field specifically for a given application. A crucial challenge to be addressed concerning AM of bonded magnets is the production of magnetically anisotropic components. The common approaches presented in the literature up to now, required a post-printing procedure or the complex integration of a magnetic field source into the AM process. Here, we present a technique to fabricate anisotropic bonded magnets via Laser Powder Bed Fusion (LPBF) by utilizing the mechanical alignment of anisotropic particles in a single step, without the need for a magnetic field source. Anisotropic bonded magnets were fabricated using a mixture of anisotropic Nd-Fe-B powder (MQA-38-14) and polyamide-12 (PA12). This magnetic powder consists of ellipsoidal particles, where the easy magnetization axis is distributed perpendicular to their longest side, which can be exploited to generate magnetic texture. Depending on the particle size used as feedstock, the degree of alignment ( ) can be tailored to a maximum of = 0.78. The fabricated anisotropic bonded magnets exhibited a maximum remanence of Jr = 377 mT and an energy product of (BH)max = 28.6 kJ/m3, respectively.

physics.app-ph↗

arXiv2023

Magnetic properties of Nd6Fe13Cu single crystals

The understanding of coercivity mechanism in high performance Nd-Fe-B permanent magnets relies on the analysis of the magnetic properties of all phases present in the magnets. By adding Cu in such compounds, a new Nd6Fe13Cu grain boundary phase is formed, however, the magnetic properties of this phase and its role in the magnetic decoupling of the matrix Nd2Fe14B grains are still insufficiently studied. In this work, we have grown Nd6Fe13Cu single crystals by the reactive flux method and studied their magnetic properties in detail. It is observed that below the Néel temperature (TN = 410 K), the Nd6Fe13Cu is antiferromagnetic in zero magnetic field; whereas when a magnetic field is applied along the a-axis, a spin-flop transition occurs at approx. 6 T, indicating a strong competition between antiferromagnetic and ferromagnetic interactions in two Nd layers below and above the Cu layers. Our atomistic spin dynamics simulation confirms that an increase in temperature and/or magnetic field can significantly change the antiferromagnetic coupling between the two Nd layers below and above the Cu layers, which, in turn, is the reason for the observed spin-flop transition. These results suggest that the role of antiferromagnetic Nd6Fe13Cu grain boundary phase in the coercivity enhancement of Nd-Fe-B-Cu magnets is more complex than previously thought, mainly due to the competition between its antiferro- and ferro-magnetic exchange interactions.

cond-mat.mtrl-sci↗

arXiv2023

The Premartensite and Martensite in Fe50Rh50 System

Metallic/intermetalic materials with BCC structures hold an intrinsic instability due to phonon softening along [110] dirrection, causing BCC to lower-symmetry phases transformation when the BCC structures are thermally or mechanically stressed. Fe50Rh50 binary system is one of the exceptional BCC structures (ordered-B2) that has not been yet showing such transformation upon application of thermal stress, although mechanical deformation results in B2 to disordered FCC (gamma) and L10 phases transformation. Here, a comprehensive transmission electron microscopy (TEM) study is conducted on thermally-stressed samples of Fe50Rh50 aged at water and liquid nitrogen from 1150 degree C and 1250 degree C. The results show that, samples quenched from 1150 degree C into water and liquid nitrogen show presence of 1/4{110} and 1/2{110} satellite reflections, the latter of which is expected from phonon dispersion curves obtained by density functional theory calculation. Therefore, it is believed that Fe50Rh50 maintains the B2 structure that is in premartensite state. Once Fe50Rh50 is quenched from 1250 degree C into liquid nitrogen, formation of two short-range ordered tetragonal phases with various c/a ratios (~1.15 and 1.4) is observed in line with phases formed from mechanically deformed (30%) sample. According to our observations, an accurate atomistic shear model ({110}<1-10>) is presented that describes the martensitic transformation of B2 to these tetragonal phases. These findings offer implications useful for understanding of magnetic and physical characteristics of metallic/intermetallic materials.

cond-mat.mtrl-sci↗

arXiv2023

Designing magnetocaloric materials for hydrogen liquefaction with light rare-earth Laves phases

Magnetocaloric hydrogen liquefaction could be a "game-changer" for liquid hydrogen industry. Although heavy rare-earth-based magnetocaloric materials show strong magnetocaloric effects in the temperature range required by hydrogen liquefaction (77 ~ 20 K), the high resource criticality of the heavy rare-earth elements is a major obstacle for upscaling this emerging liquefaction technology. In contrast, the higher abundances of the light rare-earth elements make their alloys highly appealing for magnetocaloric hydrogen liquefaction. Via a mean-field approach, it is demonstrated that tuning the Curie temperature ($T_C$) of an idealized light rare-earth-based magnetocaloric material towards lower cryogenic temperatures leads to larger maximum magnetic and adiabatic temperature changes ($ΔS_T$ and $ΔT_{ad}$). Especially in the vicinity of the condensation point of hydrogen (20 K), $ΔS_T$ and $ΔT_{ad}$ of the optimized light rare-earth-based material are predicted to show significantly large values. Following the mean-field approach and taking the chemical and physical similarities of the light rare-earth elements into consideration, a method of designing light rare-earth intermetallic compounds for hydrogen liquefaction is proposed: tunning $T_C$ of a rare-earth alloy to approach 20 K by mixing light rare-earth elements with different de Gennes factors. By mixing Nd and Pr in Laves phase $(Nd,Pr)Al_2$, and Pr and Ce in Laves phase $(Pr,Ce)Al_2$, a fully light rare-earth intermetallic series with large magnetocaloric effects covering the temperature range required by hydrogen liquefaction is developed, demonstrating a competitive maximum effect compared to the heavy rare-earth compound $DyAl_2$.

cond-mat.mtrl-sci↗

arXiv2023

Local magnetic and geometric structure in Mn-doped La(Fe,Si)13

Magnetic cooling has the potential to replace conventional gas compression refrigeration. Materials such as La(Fe,Si)$_{13}$ exhibit a sizeable first-order magnetocaloric effect, and it is possible to tailor the phase transition towards room temperature by Mn-H-doping, resulting in a large temperature range for operation. Within this work, we discuss variations of the electronic and lattice structure in La(Fe,Si)$_{13}$ with increasing Mn content utilizing X-ray magnetic circular dichroism (XMCD) and extended X-ray absorption fine structure spectroscopy (EXAFS). While XMCD shows a decrease of the magnetic polarization at the Fe K edge, low-temperature EXAFS measurements indicate increased positional disorder in the La environment that is otherwise absent for Fe and Mn. First-principles calculations link the positional disorder to an enlarged Mn-Si distance -- explaining the increased positional disorder in the La surrounding.

cond-mat.mtrl-sci↗