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At least 127 records · Page 7

Investigating magnetic van der Waals materials using data-driven approaches

In this work, we investigate magnetic monolayers of the form A i A ii B 4 X 8 based on the well-known intrinsic topological magnetic van der Waals (vdW) material MnBi 2 Te 4 (MBT) using first-principles calculations and machine learning techniques. We select an initial subset of structures to calculate the thermodynamic properties, electronic properties, such as the band gap, and magnetic properties, such as the magnetic moment and magnetic order using density functional theory (DFT). Data analytics approaches are used to gain insight into the microscopic origin of materials’ properties. The dependence of materials’ properties on chemical composition is also explored. For example, we find that the formation energy and magnetic moment depend largely on A and B sites whereas the band gap depends on all three sites. Finally, we employ machine learning tools to accelerate the search for novel vdW magnets in the MBT family with optimized properties. Finally, this study creates avenues for rapidly predicting novel materials with desirable properties that could enable applications in spintronics, optoelectronics, and quantum computing.

36 MATERIALS SCIENCE↗

The permanent and induced magnetic dipole moment of the moon

Magnetic field observations with the Apollo 15 subsatellite have been used to deduce the components of both the permanent and induced lunar dipole moments in the orbital plane. The present permanent lunar magnetic dipole moment in the orbital plane is less than 1.3 times ten to the eighteenth power gauss-cu cm. Any uniformly magnetized near surface layer is therefore constrained to have a thickness-magnetization product less than 2.5 emu-cm per g. The induced moment opposes the external field, implying the existence of a substantial lunar ionosphere with a permeability between 0.63 and 0.85. Combining this with recent measures of the ratio of the relative field strength at the ALSEP and Explorer 35 magnetometers indicates that the global lunar permeability relative to the plasma in the geomagnetic tail lobes is between 1.008 and 1.03.

Russell, C. T.↗

Rare-earth orbital moment contributions to the magnetic anisotropy in magnetostrictive Tb0.3Dy0.7Fe2

Soft x-ray Magnetic Circular Dichroism spectroscopy at the Dy and Tb M4,5 and the Fe L2,3 edges was performed on a sputter deposited polycrystalline Terfenol-D (Tb0.3Dy0.7Fe2) film on sapphire substrates at temperatures from 100 to 300 K to evaluate the elementwise contribution to the magnetocrystalline anisotropy and coercive field. The elemental spin and orbital magnetic moments were calculated using the x-ray Magnetic Circular Dichroism sum rules. As temperatures decreased, the Tb and Fe moments plateau at 200 K with values of 7.6 μB/atom and 1.8 μB/atom, respectively, while the Dy moment increases to 8.9 μB/atom at 100 K. Between 300 and 200 K, the change in magnetic anisotropy is dominated by thermally induced magnetoelastic effects while for temperatures below 200 K magnetocrystalline anisotropy (MCA) changes are dominant. The MCA changes below 200 K appear to be due to increases in the Dy orbital moment with decreasing temperature in this temperature regime.

Shirazi, Paymon (ORCID:0000000256954597)↗

Magnetic dipole moment determination by near-field analysis

A method for determining the magnetic moment of a spacecraft from magnetic field data taken in a limited region of space close to the spacecraft. The spacecraft's magnetic field equations are derived from first principles. With measurements of this field restricted to certain points in space, the near-field equations for the spacecraft are derived. These equations are solved for the dipole moment by a least squares procedure. A method by which one can estimate the magnitude of the error in the calculations is also presented. This technique was thoroughly tested on a computer. The test program is described and evaluated, and partial results are presented.

Eichhorn, W. L.↗

Bulk and element-specific magnetism of medium-entropy and high-entropy Cantor-Wu alloys

Magnetic Compton scattering, x-ray magnetic circular dichroism spectroscopy, and bulk magnetometry measurements are performed on a set of medium- (NiFeCo and NiFeCoCr) and high-entropy (NiFeCoCrPd and NiFeCoCrMn) Cantor-Wu alloys. The bulk spin momentum densities determined by magnetic Compton scattering are remarkably isotropic, and this is a consequence of the smearing of the electronic structure by disorder scattering of the electron quasiparticles. Nonzero x-ray magnetic circular dichroism signals are observed for every element in every alloy indicating differences in the populations of the majority and minority spin states implying finite magnetic moments. When Cr is included in the solid solution, the Cr spin moment is unambiguously antiparallel to the total magnetic moment, while a vanishingly small magnetic moment is observed for Mn, despite calculations indicating a large moment. Some significant discrepancies are observed between the experimental bulk and surface magnetic moments. Furthermore, despite the lack of quantitative agreement, the element-specific surface magnetic moments seem to be qualitatively reasonable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr 2 IrO 4

Here, we show how an accurate first-principles treatment of the canted-anti-ferromagnetic ground state of Sr 2 IrO 4 , a prototypical 5d correlated spin-orbit coupled material, can be obtained without invoking any free parameters, such as the Hubbard $\textit{U}$ or tuning the spin-orbit coupling strength. Our theoretically predicted iridium magnetic moment of 0.250$μ_B$, canted by 12.6° off the $\textit{a}$ axis, is in accord with experimental results. By resolving the magnetic moments into their spin and orbital components, we show that our theoretically obtained variation of the magnetic scattering amplitude $\langle M_m \rangle$ as a function of the polarization angle is consistent with recent nonresonant magnetic x-ray scattering measurements. The computed value of the band gap (55 meV) is also in line with the corresponding experimental values. A comparison of the band structure to that of the cuprates suggests the presence of incommensurate charge-density wave phases in Sr 2 IrO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multiple ferroic orders and toroidal magnetoelectricity in the chiral magnet BaCoSiO 4

Discovering ferroic phase transitions and their consequential physical properties is at the core of condensed matter science due to rich physics and tremendous technological promises. BaCoSiO 4 , a chiral antiferromagnet, belongs to the tetrahedron-based chiral system, and exhibits diverse ferroic orders with coexisting chirality, polarity, trimerization, ferrorotational distortions, and magnetism. However, their mutual couplings remain to be explored. Here in this work, we used a comprehensive combination of several experimental tools—in situ x-ray, transmission electron microscopy, magnetization, and magnetoelectric measurements of single-crystalline BaCoSiO 4 —to investigate hierarchical phase transitions, their microscopic domain structures, and the resulting magnetoelectricity. We found that two different structural chiralities develop through distinct processes: global homochirality and local heterochirality induced by the ferrorotational distortions on top of existing polarization. In addition, magnetic chirality, with the simultaneous presence of net magnetic moment and magnetic toroidal moment, develops below 3.2 K due to the global chirality, which leads to magnetic field tunable toroidal magnetoelectricity. Thus, BaCoSiO 4 exhibits uniquely all four types of ferroic orders and provides an avenue to explore, for example, tunable or dynamic coupling of multiple ferroic degrees of freedom.

36 MATERIALS SCIENCE↗

Speculation on a Solar Chronometer for Climate

Solar activity has been correlated to climatic fluctuations and has been postulated as a major factor in quasi-periodic global climatic change. However, correlations are not explanations of physical mechanisms and do not couple cause with effect. A mechanism for a chronometer for solar output variability is proposed based on relations between properties of thermonuclear fusion, nuclear magnetic moment, and nuclear magnetic resonance. A fundamental oscillation of a nucleus with a net nuclear magnetic moment (NMM) is the precession of its axis of rotation when subjected to a magnetic field. Nuclear magnetic resonance (NMR) is the preferred frequency of precession for a nucleus of a particular isotope when placed in a magnetic field of specific intensity. The NMM for those isotopes involved in the proton-proton (p-p) chain pathway for solar fusion varies from strong positive to strong negative. Individual fusion events, for hydrogen and helium isotopes which release varying amounts of energy, may be controlled by NMR frequencies. The pulses of energy from fusion events occurring at NMR frequencies in the solar interior may be transformed into pressure or gravity waves that emerge as gravity or acoustic waves at the surface. Dictated by spherical harmonics, certain wavelengths may be reinforced and reenter the solar interior to modulate the fusion process. Qualitative analysis of solar and climatic data support the interaction of the three basic components of the chronometer, magnetic activity, oscillation frequency, and solar energy output.

Perry, Charles A.↗

Impact of Two-Body Currents on Magnetic Dipole Moments of Nuclei

We investigate the effects of two-body currents on magnetic dipole moments of medium-mass and heavy nuclei using the valence-space in-medium similarity renormalization group with chiral effective field theory interactions and currents. Focusing on near doubly magic nuclei from oxygen to bismuth, we have found that the leading two-body currents globally improve the agreement with experimental magnetic moments. Moreover, our results show the importance of multishell effects for Ca 41 , which suggest that the Z = N = 20 gap in Ca 40 is not as robust as in Ca 48 . The increasing contribution of two-body currents in heavier systems is explained by the operator structure of the center-of-mass dependent Sachs term. Published by the American Physical Society 2024

Physics↗

Synthesis of Co‐Doped MoS 2 Monolayers with Enhanced Valley Splitting

Abstract Internal magnetic moments induced by magnetic dopants in MoS 2 monolayers are shown to serve as a new means to engineer valley Zeeman splitting (VZS). Specifically, successful synthesis of monolayer MoS 2 doped with the magnetic element Co is reported, and the magnitude of the valley splitting is engineered by manipulating the dopant concentration. Valley splittings of 3.9, 5.2, and 6.15 meV at 7 T in Co‐doped MoS 2 with Co concentrations of 0.8%, 1.7%, and 2.5%, respectively, are achieved as revealed by polarization‐resolved photoluminescence (PL) spectroscopy. Atomic‐resolution electron microscopy studies clearly identify the magnetic sites of Co substitution in the MoS 2 lattice, forming two distinct types of configurations, namely isolated single dopants and tridopant clusters. Density functional theory (DFT) and model calculations reveal that the observed enhanced VZS arises from an internal magnetic field induced by the tridopant clusters, which couples to the spin, atomic orbital, and valley magnetic moment of carriers from the conduction and valence bands. The present study demonstrates a new method to control the valley pseudospin via magnetic dopants in layered semiconducting materials, paving the way toward magneto‐optical and spintronic devices.

Zhou, Jiadong↗

Pseudospin versus magnetic dipole moment ordering in the isosceles triangular lattice material K 3 Er(VO 4 ) 2

Spin- 1 / 2 antiferromagnetic triangular lattice models are paradigms of geometrical frustration, revealing very different ground states and quantum effects depending on the nature of anisotropies in the model. Due to strong spin orbit coupling and crystal field effects, rare-earth ions can form pseudospin- 1 / 2 magnetic moments with anisotropic single-ion and exchange properties. Thus, rare-earth-based triangular lattices enable the exploration of this interplay between frustration and anisotropy. Here we study one such case, the rare-earth double vanadate glaserite material K 3 Er ( VO 4 ) 2 , which is a quasi-two-dimensional (2D) isosceles triangular antiferromagnet. Our specific heat and neutron powder diffraction data from K 3 Er ( VO 4 ) 2 reveal a transition to long range magnetic order at T N = 155 ± 5 mK which accounts for all R ln 2 entropy. Furthermore, we observe what appears to be a coexistence of three-dimensional (3D) and quasi-2D order below T N . The quasi-2D order leads to an anisotropic Warren-like peak profile for ( h k 0 ) reflections, while the 3D order is best-described by layers of antiferromagnetic b -aligned moments alternating with layers of zero moment. Our magnetic susceptibility data reveal that Er 3 + takes on a strong X Y single-ion anisotropy in K 3 Er ( VO 4 ) 2 , leading to vanishing moments when pseudospins are oriented along c . Thus, the magnetic structure, when considered from the pseudospin point of view could comprise of alternating layers of b -axis and c -axis aligned antiferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic oxygen in transition metal oxides: A case study of Ba 2 CoO 4

Transition metal oxides (TMOs) exhibit exotic magnetic properties in both naturally formed and artificially structured materials, often difficult to understand in conventional wisdom. Magnetic insulator Ba 2 CoO 4 has mystified the community, because the CoO 4 tetrahedron is completely isolated with the nearest Co atoms far apart (~5 Å), making it impossible to account for long-range magnetic ordering seen experimentally using only Co. By theoretically investigating magnetism and relating our findings to experimental observations in bulk Ba 2 CoO 4 , we illustrate for the first time that the magnetic moment on oxygen atoms are the origin of the unexpected long-range magnetic ordering and low magnetic dimensionality. We find that the magnetic moment is not only localized on Co atoms, as assumed in all conventional data analysis, but also distributed on its tetrahedrally-coordinated O atoms. The total magnetic moment of the CoO 4 building block is 4.63μ B with the magnetic moment on Co being only 3.08μ B . Therefore, the magnetic building block is CoO 4 not Co. Furthermore, our first principles calculations are capable of explaining the origin of the unique magnetic response, including the presence of long-range magnetic ordering with two-dimensional character, and a one-dimensional magnetoelastic behavior. Having oxygen contribute to the magnetic moment will undoubtedly be identified as a universal property of magnetic TMOs, which will require a fresh look at conventional models of magnetism in TMOs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spin-lattice dynamics of surface vs core magnetization in Fe nanoparticles

Magnetization of clusters is often simulated using atomistic spin dynamics for a fixed lattice. Coupled spinlattice dynamics simulations of the magnetization of nanoparticles have up to now neglected the change in the size of the atomic magnetic moments near surfaces. We show that the introduction of variable magnetic moments leads to a better description of experimental data for the magnetization of small Fe nanoparticles. To this end we divide atoms into a surface-near shell and a core with bulk properties. Here, it is demonstrated that both the magnitude of the shell magnetic moment and the exchange interactions need to be modified to obtain a fair representation of the experimental data. This allows for a reasonable description of the average magnetic moment versus cluster size, and also the cluster magnetization versus temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Reducing Field Distortion in Magnetic Resonance Imaging

A concept for a magnetic resonance imaging (MRI) system that would utilize a relatively weak magnetic field provides for several design features that differ significantly from the corresponding features of conventional MRI systems. Notable among these features are a magnetic-field configuration that reduces (relative to the conventional configuration) distortion and blurring of the image, the use of a superconducting quantum interference device (SQUID) magnetometer as the detector, and an imaging procedure suited for the unconventional field configuration and sensor. In a typical application of MRI, a radio-frequency pulse is used to excite precession of the magnetic moments of protons in an applied magnetic field, and the decaying precession is detected for a short time following the pulse. The precession occurs at a resonance frequency proportional to the strengths of the magnetic field and the proton magnetic moment. The magnetic field is configured to vary with position in a known way; hence, by virtue of the aforesaid proportionality, the resonance frequency varies with position in a known way. In other words, position is encoded as resonance frequency. MRI using magnetic fields weaker than those of conventional MRI offers several advantages, including cheaper and smaller equipment, greater compatibility with metallic objects, and higher image quality because of low susceptibility distortion and enhanced spin-lattice-relaxation- time contrast. SQUID MRI is being developed into a practical MRI method for applied magnetic flux densities of the order of only 100 T

Eom, Byeong Ho↗

Additive roles of antiferromagnetically coupled elements in the magnetic proximity effect in the GdFeCo/Pt system

Abstract Interfacial magnetic interactions between different elements are the origin of various spin-transport phenomena in multi-elemental magnetic systems. We investigate the coupling between the magnetic moments of the rare-earth, transition-metal, and heavy-metal elements across the interface in a GdFeCo/Pt thin film, an archetype system to investigate ferrimagnetic spintronics. The Pt magnetic moments induced by the antiferromagnetically aligned FeCo and Gd moments are measured using element-resolved x-ray measurements. It is revealed that the proximity-induced Pt magnetic moments are always aligned parallel to the FeCo magnetic moments, even below the ferrimagnetic compensation temperature where FeCo has a smaller moment than Gd. This is understood by a theoretical model showing distinct effects of the rare-earth Gd 4 f and transition-metal FeCo 3 d magnetic moments on the Pt electronic states. In particular, the Gd and FeCo work in-phase to align the Pt moment in the same direction, despite their antiferromagnetic configuration. The unexpected additive roles of the two antiferromagnetically coupled elements exemplify the importance of detailed interactions among the constituent elements in understanding magnetic and spintronic properties of thin film systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electromagnetically Clean Solar Arrays

The term 'electromagnetically clean solar array' ('EMCSA') refers to a panel that contains a planar array of solar photovoltaic cells and that, in comparison with a functionally equivalent solar-array panel of a type heretofore used on spacecraft, (1) exhibits less electromagnetic interferences to and from other nearby electrical and electronic equipment and (2) can be manufactured at lower cost. The reduction of electromagnetic interferences is effected through a combination of (1) electrically conductive, electrically grounded shielding and (2) reduction of areas of current loops (in order to reduce magnetic moments). The reduction of cost is effected by designing the array to be fabricated as a more nearly unitary structure, using fewer components and fewer process steps. Although EMCSAs were conceived primarily for use on spacecraft they are also potentially advantageous for terrestrial applications in which there are requirements to limit electromagnetic interference. In a conventional solar panel of the type meant to be supplanted by an EMCSA panel, the wiring is normally located on the back side, separated from the cells, thereby giving rise to current loops having significant areas and, consequently, significant magnetic moments. Current-loop geometries are chosen in an effort to balance opposing magnetic moments to limit far-0field magnetic interactions, but the relatively large distances separating current loops makes full cancellation of magnetic fields problematic. The panel is assembled from bare photovoltaic cells by means of multiple sensitive process steps that contribute significantly to cost, especially if electomagnetic cleanliness is desired. The steps include applying a cover glass and electrical-interconnect-cell (CIC) sub-assemble, connecting the CIC subassemblies into strings of series-connected cells, laying down and adhesively bonding the strings onto a panel structure that has been made in a separate multi-step process, and mounting the wiring on the back of the panel. Each step increases the potential for occurrence of latent defects, loss of process control, and attrition of components. An EMCSA panel includes an integral cover made from a transparent material. The silicone cover supplants the individual cover glasses on the cells and serves as an additional unitary structural support that offers the advantage, relative to glass, of the robust, forgiving nature of the silcone material. The cover contains pockets that hold the solar cells in place during the lamination process. The cover is coated with indium tin oxide to make its surface electrically conductive, so that it serves as a contiguous, electrically grounded shield over the entire panel surface. The cells are mounted in proximity to metallic printed wiring. The painted-wiring layer comprises metal-film traces on a sheet of Kapton (or equivalent) polyimide. The traces include contact pads on one side of the sheet for interconnecting the cells. Return leads are on the opposite side of the sheet, positioned to form the return currents substantially as mirror images of, and in proximity to, the cell sheet currents, thereby minimizing magnetic moments. The printed-wiring arrangement mimics the back-wiring arrangement of conventional solar arrays, but the current-loop areas and the resulting magnetic moments are much smaller because the return-current paths are much closer to the solar-cell sheet currents. The contact pads are prepared with solder fo electrical and mechanical bonding to the cells. The pocketed cover/shield, the solar cells, the printed-wiring layer, an electrical bonding agent, a mechanical-bonding agent, a composite structural front-side face sheet, an aluminum honeycomb core, and a composite back-side face sheet are all assembled, then contact pads are soldered to the cells and the agents are cured in a single lamination process.

Stem, Theodore G.↗