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At least 1,171 records · Page 65

Magnetic and transport properties of amorphous, B 2 and L 2 1 Co 2 MnGa thin films

We have studied the magnetic and transport properties of Co 2 MnGa (CMG) thin films grown on MgO(100) substrates in terms of their chemical evolution from amorphous to ordered L 2 1 phases at the substrate temperature T s during the thin film deposition. Interestingly, the chemical order and magnetic properties sharply change depending on T s . The CMG film deposited at T s = 550 °C exhibits the L 2 1 -ordered structure and the magnetization of 3.5 μ B /f.u., while the CMG film deposited at T s = 300 °C shows a B 2-ordered structure and a relatively lower magnetization of 3 μ B /f.u., possibly due to the Mn–Mn antiferromagnetic interactions. A metallic behavior of the electrical resistivity appeared in the CMG film deposited at T s = 550 °C, whereas the semiconducting behavior appeared in the CMG films deposited at 300 °C and room temperature. Moreover, we found that the absolute value of α = d(Δ ρ )/d( T 1/2 ) in the low-temperature range below about 20 K is a measure to evaluate the degree of the chemical disorder. In a Hall effect measurement, the L 2 1 -ordered CMG film obtained at T s = 550 °C shows a sizable anomalous Hall resistivity of 15 µ Ω cm. This study unveils the relation between T s and atomic ordering, providing a new pathway for optimizing the chemical order.

36 MATERIALS SCIENCE↗

Changes in physical properties of 4C pyrrhotite (Fe 7 S 8 ) across the 32 K Besnus transition

Pyrrhotite, Fe 7 S 8 , is a common sulfide mineral in the Earth’s crust and mantle, as well as in a range of meteorites and is of interest to a wide variety of disciplines including economic geology, geophysics, and material science. The 4C variety of pyrrhotite shows a dramatic change in magnetic properties at T ≈ 30 K, known as the Besnus transition. Although this transition is frequently used to detect pyrrhotite in geologic samples, the underlying mechanism driving the transition has not yet been identified. This study presents a high-resolution view of the changes in heat capacity, magnetic, and electronic properties of a natural single crystal of nearly pure, monoclinic 4C pyrrhotite across the Besnus transition. Contrary to previous studies, all of these properties show clear evidence of the Besnus transition, specific heat, in particular, revealing a clear transition at 32 K, apparently of second-order nature. Small-angle neutron scattering data are also presented, demonstrating an unusual change in short-range magnetic scattering at the transition. Furthermore, a magnetic field dependence of the transition temperature can be seen in both induced magnetization and electrical resistivity. These new observations help narrow the possible nature of the phase transition, clearly showing that interactions between intergrown coexisting 4C and 5C* superstructures, as suggested in some literature, are not necessary for the Besnus transition. In fact, the changes seen here in both the specific heat and the electronic transport properties are considerably larger than those seen in samples with intergrown superstructures. To further constrain the mechanism underlying the Besnus transition, we identify five separate potential models and evaluate them within the context of existing observations, proposing experimental approaches that may help resolve ongoing ambiguities.

58 GEOSCIENCES↗

Valence instability and collapse of ferromagnetism in EuB 6 at high pressures

Despite the simplicity of their cubic crystal lattice, rare-earth hexaborides display complex physical properties including a (long debated) onset of metallization via magnetic polaron formation at T c1 approximate to 15 K preceding ferromagnetic ordering at T c2 approximate to 12 K. Here, in this work, we used applied pressure to tune the interplay between electronic structure and magnetism in EuB6. We probed the magnetism, valence, and structure of EuB 6 under quasi-hydrostatic pressures up to 30 GPa using X-ray techniques. Our findings show evidence for collapse of ferromagnetism above 20 GPa following a monotonic increase of mean Eu valence. While X-ray diffraction measurements in the paramagnetic state at room temperature show that the lattice retains cubic symmetry, a measurable quadrupole interaction seen by time-domain synchrotron Mössbauer spectroscopy suggests a lowering of symmetry associated with magnetic ordering, becoming more prominent across the magnetic transition. The interplay between conduction band electron count and magnetism observed under applied pressure in EuB 6 opens possibilities for fine-tuning metallization and magnetic properties of similar Eu-based semi-metal systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Magnetocapacitance effect and magnetoelectric coupling in type-II multiferroic HoFeWO 6

We have investigated the multiferroicity and magnetoelectric (ME) coupling in HoFeWO 6 . With a noncentrosymmetric polar structure (space group Pna2 1 ) at room temperature, this compound shows an onset of electric polarization with an antiferromagnetic ordering at the Néel temperature (T N ) of 17.8 K. The magnetic properties of the polycrystalline samples were studied by DC and AC magnetization and heat capacity measurements. The metamagnetic behavior at low temperatures was found to be directly related to the dielectric properties of the compound. In particular, field-dependent measurements of capacitance show a magnetocapacitance (MC) effect with double-hysteresis loop behavior in direct correspondence with the magnetization. Our x-ray diffraction results show the Pna2 1 structure down to 8 K and suggest the absence of a structural phase transition across T N . Soft x-ray absorption spectroscopy and soft x-ray magnetic circular dichroism (XMCD) measurements at the Fe L 2,3 and Ho M 4,5 edges revealed the oxidation state of Fe and Ho cations to be 3+. Fe L 2,3 XMCD further shows that Fe 3+ cations are antiferromagnetically ordered in a noncollinear fashion with spins arranged 90° with respect to each other. Our findings show that HoFeWO 6 is a type-II multiferroic exhibiting a MC effect. Furthermore, the observed MC effect and the change in polarization by the magnetic field, as well as their direct correspondence with magnetization, further support the strong ME coupling in this compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High‐Throughput Screening Assisted Discovery of a Stable Layered Anti‐Ferromagnetic Semiconductor: CdFeP 2 Se 6

Recent advances in 2D magnetism have heightened interest in layered magnetic materials due to their potential for spintronics. In particular, layered semiconducting antiferromagnets exhibit intriguing low-dimensional semiconducting behavior with both charge and spin as carrier controls. However, synthesis of these compounds is challenging and remains rare. Here, first-principles based high-throughput search is conducted to screen potentially stable mixed metal phosphorous trichalcogenides (MM ' P 2 X 6 , where M and M ' are transition metals and X is a chalcogenide) that have a wide range of tunable bandgaps and interesting magnetic properties. Among the potential candidates, a stable semiconducting layered magnetic material, CdFeP 2 Se 6 , that exhibits a short-range antiferromagnetic order at T N = 21 K with an indirect bandgap of 2.23 eV is successfully synthesized . This work suggests that high-throughput screening assisted synthesis can be an effective method for layered magnetic materials discovery.

2D materials↗

Strangely attractive: Collaboration and feedback in the field of molecular magnetism

The fluid synergy between experimentalists and theoreticians has, for decades, led to a deeper understanding of the processes that govern single-molecule magnets. This approach has allowed for the establishment of proven design criteria for the control of magnetic properties through molecular architecture and the development of new magnetic measurement techniques and innovative computational methodologies. Here, we give an account of the experimental and theoretical joint endeavor carried out as part of the synthesis group led by David Mills and the computational/theoretical team led by Nicholas Chilton, together with colleagues in synthetic f-element chemistry and magnetism at the University of Manchester. In addition, we provide a personal perspective on collaborative work in molecular magnetism and how such collaborations are essential for advancing the field further.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aluminum/SmCo 5 composites for structural and magnetic applications

Metal-bonded magnetic composites (MBMCs) present a promising alternative to dense sintered magnets, particularly for intricate components. Compared to polymer-based bonded magnets, MBMCs have wider applicability in harsh environments. In this paper, we demonstrate a solid-state shear-based manufacturing technique to introduce localized magnetization into a paramagnetic aluminum matrix by embedding SmCo5 permanent magnet particles. Our magnetic composites display hard magnetic behavior with a coercivity of 13 kOe and a remanent magnetization of 4.32 emu/g. In addition to magnetization, we also report a 9% improvement in Young’s modulus. Despite the local temperature rise during processing, the magnetic phases didn’t decompose into unwanted phases, preserving the composite's hard magnetic properties. Creation of an interfacial metallurgical bond with the matrix ensured the suitability of the composites for structural applications. Our study investigates the mechanical, and functional properties of composites, paving the way for lightweight structural magnetic composites with a transformative potential in the aerospace, nuclear, and automotive applications. This work underscores the potential for further optimization and development to drive innovations in magnet and equipment design.

36 MATERIALS SCIENCE↗

Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory

Zero-field splitting (ZFS) is a fundamental molecular property that is especially relevant for single-molecule magnets (SMMs), electron paramagnetic resonance spectra, and quantum computing. Developing a method that can accurately predict ZFS parameters can be very powerful for designing new SMMs. One of the challenges is to include external correlation in an inherently multiconfigurational open-shell species for the accurate prediction of magnetic properties. Previously available methods depend on expensive multireference perturbation theory calculations to include external correlation. In this paper, we present spin-orbit-inclusive multiconfiguration and multistate pair-density functional theory (MC-PDFT) calculations of ZFSs; these calculations have a cost comparable to complete-active-space self-consistent field (CASSCF) theory, but they include correlation external to the active space. We found that combining a multistate formulation of MC-PDFT, namely, compressed-state multistate pair-density functional theory, with orbitals optimized by weighted-state-averaged CASSCF, yields reasonably accurate ZFS results

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamical criticality of spin-shear coupling in van der Waals antiferromagnets

Abstract The interplay between a multitude of electronic, spin, and lattice degrees of freedom underlies the complex phase diagrams of quantum materials. Layer stacking in van der Waals (vdW) heterostructures is responsible for exotic electronic and magnetic properties, which inspires stacking control of two-dimensional magnetism. Beyond the interplay between stacking order and interlayer magnetism, we discover a spin-shear coupling mechanism in which a subtle shear of the atomic layers can have a profound effect on the intralayer magnetic order in a family of vdW antiferromagnets. Using time-resolved X-ray diffraction and optical linear dichroism measurements, interlayer shear is identified as the primary structural degree of freedom that couples with magnetic order. The recovery times of both shear and magnetic order upon optical excitation diverge at the magnetic ordering temperature with the same critical exponent. The time-dependent Ginzburg-Landau theory shows that this concurrent critical slowing down arises from a linear coupling of the interlayer shear to the magnetic order, which is dictated by the broken mirror symmetry intrinsic to the monoclinic stacking. Our results highlight the importance of interlayer shear in ultrafast control of magnetic order via spin-mechanical coupling.

36 MATERIALS SCIENCE↗

Charge transport and antiferromagnetic ordering in nitroxide radical crystals

Nonconjugated radical polymers and small molecules are employed as functional materials in organic electronic devices. Furthermore, the unpaired electrons on these materials have permanent magnetic moments, making these materials promising candidates for organic magnets. Through molecular design, strong antiferromagnetic and ferromagnetic ordering have been achieved in conjugated materials. However, the magnetic properties of nonconjugated radical polymers have only shown weak magnetic interactions among the open-shell sites due to the large mean separation between radicals in typical materials. Here, we have designed, synthesized, and crystalized two open-shell molecules that used molecular engineering to control the assembly of the open-shell sites into a strong antiferromagnetically ordered network. The strong antiferromagnetic interaction is evidenced by a high paramagnetic-to-antiferromagnetic transition temperature of ~40 K. This high transition temperature was a result of a high spin exchange coupling constant J of about –20 cm –1 , which was suggested by both experimental and computed coupling parameters given by the energy difference between high-spin and low-spin broken-symmetry structures. In addition, a single-crystal electrical conductivity of ~10 –3 S m –1 was achieved, which indicated the potential of this material in electronic applications. As a result, this work provides an insight into a design strategy for radical-based electronic and magnetic materials through proper molecular structure modifications.

36 MATERIALS SCIENCE↗

Voltage-induced magnetic domain evolution in a phase-change material

Applying voltage to metal–insulator transition (MIT) materials allows electrical actuation of the local electronic phase state. In MIT systems that have the electronic order coupled with the magnetic order, voltage switching of the electronic phase state can also enable the electrical manipulation of magnetic properties. In this work, we utilized x-ray magnetic circular dichroism photoemission electron microscopy (XMCD-PEEM) to investigate the control of magnetic domain configurations in ferromagnetic MIT electrical switches. For applied voltages above a threshold value, the XMCD-PEEM images show that the magnetic domains separate into two distinct regions: one with a high contrast (white/black), indicating well-defined micrometer-scale magnetic domains with a component of their magnetization aligned parallel/antiparallel to the x-ray helicity, and the other with different shades of intermediate contrast (gray). Significant changes in magnetic domain configurations upon voltage biasing were only observed in these gray regions. Furthermore, the voltage-induced magnetic domain separation was found to be bias polarity-dependent, with the gray regions expanding from the opposite sample edge when the applied voltage polarity was reversed. This polarity-dependent electrical control of magnetic domain configurations during the MIT switching opens alternative opportunities in memory applications for magnetic MIT switching materials.

42 ENGINEERING↗

The Electron Spectro-Microscopy (ESM) Beamline at NSLS-II

Photoelectron spectroscopy is a primary tool for the study of the electronic structure of materials and the chemical composition of surfaces. High-resolution angle-resolved photoemission spectroscopy (ARPES) has the unique ability to map the energy bands in momentum space. Furthermore, going beyond the single particle picture, the self-energy corrections caused by correlations in solids can be extracted from the analysis of the emission line shape. The current level of refinement, in terms of energy and angular resolution (ΔE < 1 meV, Δθ < 0.1°), makes the technique sensitive to the lowest energy excitations and the dynamics of electrons, which in turn virtually determine all the macroscopic properties of any system and govern the chemical, electrical, magnetic, and physical processes. Similarly important, X-ray photoelectron microscopy (XPEEM), combined with the low-energy electron microscopy (LEEM), is indispensable in probing the complexity of chemical, structural, electronic and magnetic properties of surfaces and shallow interfaces, with the spatial resolution of few tens of nanometer (nm). The Electron-Spectro-Microscopy beamline (ESM) has been recently commissioned at NSLS-II and is now in operation. The primary spectroscopic technique is photoemission, performed over a wide energy range with control of light polarization and in a variety of flux/resolution conditions. The beamline has two experimental end stations that allow to perform ARPES and XPEEM/LEEM, separately. The ARPES end station focuses on high energy-resolution work, with spot-size of a few microns. The XPEEM/LEEM end station is a full-field microscope (XPEEM) operating either with the synchrotron generated X-rays (XPEEM), or with an internal electron gun (LEEM). Spatial resolution is crucial in studies of newly synthesized complex materials since they are often initially available only as small specimens (typically micron size). Furthermore, chemical inhomogeneities on surfaces are often an integral part of surface chemical processes. Finally, the ESM beamline with X-ray spots of few microns is optimized to study the electronic structure of novel materials with microscopy capabilities.

47 OTHER INSTRUMENTATION↗

Magnetic excitations in the double-perovskite iridates La 2 M IrO 6 ( M = Co , Ni , and Zn ) mediated by 3 d – 5 d hybridization

By performing resonant inelastic x-ray scattering (RIXS) measurements at the Ir L 3 edge, we have investigated the low-energy elementary excitations in a series of double-perovskite iridate single crystals, La 2 MIrO 6 (M=Co,Ni,and Zn). Almost dispersionless magnetic excitations at ~42(6) meV and ~35(5) meV have been observed in crystals containing magnetic 3d ions, La 2 CoIrO 6 and La 2 NiIrO 6 , respectively. In contrast, this low-energy magnetic excitation is absent in La 2 ZnIrO 6 in which the 3d ions are nonmagnetic, suggesting the importance of 3d–5d hybridization in the magnetic properties of these double-perovskite iridates. Furthermore, the magnetic excitation is suppressed completely above the magnetic ordering temperature, suggesting the inadequacy of using a simple spin Hamiltonian to describe magnetism of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Review of electrical and thermal properties of carbon and graphite

Some of the electrical and thermal properties of ordered and partially ordered carbons are reviewed. Earlier and current research areas are discussed relative to electrical properties of pyrolytic and polycrystalline graphite; thermal, electrical, and magnetic properties of graphitizable and glassy carbon with heat treatment temperatures in the range 600-2500 C; Josephson junction-like and switching behavior in carbon films; and some high-conductivity and superconducting compounds made from carbon. Due to the newness and complexity of many of the areas examined, the results are not always completely understood, nor have these areas been completely investigated experimentally. Suggestions for future research are made.

Woollam, J. A.↗

Existence of a flat band in highly correlated metal BaCo 2 P 2

We report on the observation of a flat band situated at the Fermi level E F along with the structural, electrical transport, and magnetic properties of BaCo 2 P 2 that crystallizes in the ThCr 2 Si 2 -type body-center tetragonal structure. This compound has the largest inter-layer pnictide (Pn) distance d Pn–Pn as well as the largest c/a ratio among all the known ACo 2 Pn 2 (A = alkaline earth metal) compounds, where a and c are the tetragonal lattice parameters. Hence, the magnetic and electronic properties of this compound are expected to have a quasi-two-dimensional character. Despite the evidence of the presence of sizable magnetic interactions, magnetic susceptibility χ(T) of BaCo 2 P 2 does not show magnetic ordering down to 1.8 K. The material shows good metallic conduction with a large residual resistivity ratio ρ 300 K /ρ 1.8 K ≈ 70 and a Fermi liquid behavior at low temperature. Kadowaki–Woods ratio R KW of BaCo 2 P 2 suggests the presence of sizable electronic correlations within this system. Additionally, a large many-body enhancement of 2.3 of the experimental density of states D γ (E F ) over the band-structure D band (E F ) is inferred to arise from sizable electron-electron and/or electron-phonon interactions leading to a substantial deviation from the free-electron behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Metalloborophenes: Structural Diversity and Emerging Properties of Metal–Boron Two‐Dimensional Frameworks

Metalloborophenes, an emerging subclass of 2D materials, have attracted growing attention owing to their exceptional structural diversity and highly tunable electronic and magnetic properties. Constructed from vacancy‐rich borophene frameworks stabilized by electron donation from incorporated metal atoms, metalloborophenes merge the chemical versatility of boron with the functional richness of metal dopants. The first experimental realization of Cu–borophene nanoribbons in 2024 marked a pivotal advance, confirming long‐standing theoretical predictions and revitalizing interest in this new frontier of boron‐based 2D chemistry. Despite this progress, most studies to date remain conceptual and theoretical, constrained by challenges in scalable synthesis, dopant precision, and substrate control. Computational investigations have revealed a broad landscape of stable metalloborophene structures, exhibiting metallic, semiconducting, and magnetic behavior across diverse dopant families, including alkali, alkaline‐earth, transition, and lanthanide elements. These tunable characteristics open promising avenues for applications in spintronics, catalysis, and hydrogen storage. This review provides a comprehensive overview of metalloborophenes, emphasizing the interplay between structure, stability, and functionality, and outlining future directions toward bridging predictive modeling with experimental realization of this rapidly evolving class of 2D materials.

2D materials↗

Mars 2001 Lander Mission: Measurement Synergy Through Coordinated Operations Planning And Implementation

The 2001 Mars Surveyor Program Mission includes an orbiter with a gamma ray spectrometer and a multispectral thermal imager, and a lander with an extensive set of instrumentation, a robotic arm, and the Marie Curie Rover. The Mars 2001 Science Operations Working Group (SOWG) is a subgroup of the Project Science Group that has been formed to provide coordinated planning and implementation of scientific observations, particularly for the landed portion of the mission. The SOWG will be responsible for delivery of a science plan and, during operations, generation and delivery of conflict-free sequences. This group will also develop an archive plan that is compliant with Planetary Data System (PDS) standards, and will oversee generation, validation, and delivery of integrated archives to the PDS. In this report we cover one element of the SOWG planning activities, the development of a plan that maximizes the scientific return from lander-based observations by treating the instrument packages as an integrated payload. Scientific objectives for the lander mission have been defined. They include observations focused on determining the bedrock geology of the site through analyses of rocks and also local materials found in the soils, and the surficial geology of the site, including windblown deposits and the nature and history of formation of indurated sediments such as duricrust. Of particular interest is the identification and quantification of processes related to early warm, wet conditions and the presence of hydrologic or hydrothermal cycles. Determining the nature and origin of duricrust and associated salts is -very important in this regard. Specifically, did these deposits form in the vadose zone as pore water evaporated from soils or did they form by other processes, such as deposition of volcanic aerosols? Basic information needed to address these questions includes the morphology, topography, and geologic context of landforms and materials exposed at the site, together with quantitative information on material mineralogy, chemistry, and physical properties (rock textures; soil grain size and shape distributions; degree and nature of soil induration; soil magnetic properties). The calibration targets provide radiometric and mineralogical control surfaces. The magnets allow observations of magnetic phases. Patch plates are imaged to determine adhesive and abrasive properties of soils. Coordinated mission planning is crucial for optimizing the measurement synergy among the packages included on the lander. This planning has already begun through generation of multi-sol detailed operations activities. One focus has been to develop a scenario to use the arm to dig a soil trench to a depth of tens of centimeters. The activity will be monitored through use of Pancam and RAC to ensure nominal operations and to acquire data to determine subsurface physical properties (e.g., angle of repose of trench walls). Pancam and Mini-TES observations would also provide constraints on mineralogy and texture for the walls and bottom of the trench during excavation. If desired, soils excavated at depth could be deposited on the surface and Mossbauer and APXS measurements could be acquired for these materials. Soil samples from various depths would be delivered to MECA for characterization of aqueous geochemistry and physical properties of soil grains, particularly size, shape, and hardness. These physical properties would be determined by optical and atomic force microscopy. When completed, detailed information of soil properties as a function of depth would be obtained. These various data sets would constrain our understanding of whether or not there are systematic variations in soil characteristics as a function of depth. These variations might be related, for example, to evaporative moisture losses and formation of salt deposits, thereby indicating water transport processes occurred fairly recently. Many other value-added measurement scenarios are being developed. For example, characterizing the nature and dynamics of dust deposition will be done using MIP/DART to provide deposition rates, Pancam and RAC imaging of lander and rover surfaces to extrapolate these measurements to other areas, and a variety of measurements to determine if the bulk loose soil has the same characteristics as dust that accumulates during the mission. Bedrock geology of the site is primarily an APEX-focus setting, mineralogy, and texture, and APXS data to be we interest will be to determine the extent to which rock hydrothermal processes, given that APEX is the precursor 4 and 2005 rover missions. Additional information is contained in the original.

Arvidson, R.↗