Accelerating the discovery of novel magnetic materials using machine learning-guided adaptive feedback.

Magnetic materials are essential for energy generation and information devices, and they play an important role in advanced technologies and green energy economies. Currently, the most widely used magnets contain rare earth (RE) elements. An outstanding challenge of notable scientific interest is the discovery and synthesis of novel magnetic materials without RE elements that meet the performance and cost goals for advanced electromagnetic devices.

A modulated structure derived from the XA-type MnRuSn Heusler compound.

A modulated structure derived from the inverse Heusler phase (the XA-type and the disordered variant L2B-type) has been observed in rapidly quenched MnRuSn ribbons. The powder X-ray diffraction pattern of the quenched ribbons can be indexed as an L2B-type structure. Electron diffraction patterns of the new structure mostly resemble those of the XA-type (and the disordered variant L2B-type) structure and additional reflections with denser spacing indicate a long periodicity.

Chiral Magnetism and High-Temperature Skyrmions in B20-Ordered Co-Si.

Magnets with chiral crystal structures and helical spin structures have recently attracted much attention as potential spin-electronics materials, but their relatively low magnetic-ordering temperatures are a disadvantage. While cobalt has long been recognized as an element that promotes high-temperature magnetic ordering, most Co-rich alloys are achiral and exhibit collinear rather than helimagnetic order. Crystallographically, the B20-ordered compound CoSi is an exception due to its chiral structure, but it does not exhibit any kind of magnetic order.

Structure and Magnetism of CoGe Nanoparticles.

The structural and magnetic properties of CoGe nanoparticles (NPs) prepared by the cluster-beam deposition (CBD) technique have been investigated. As-made particles with an average size of 5.5 nm exhibit a mixture of hexagonal and orthorhombic crystal structures.

Magnetism of new metastable cobalt-nitride compounds.

The search for new magnetic materials with high magnetization and magnetocrystalline anisotropy is important for a wide range of applications including information and energy processing. There is only a limited number of naturally occurring magnetic compounds that are suitable. This situation stimulates an exploration of new phases that occur far from thermal-equilibrium conditions, but their stabilization is generally inhibited due to high positive formation energies.

Structure and Magnetism of Mn₅Ge₃ Nanoparticles.

In this work, we investigated the magnetic and structural properties of isolated Mn₅Ge₃ nanoparticles prepared by the cluster-beam deposition technique. Particles with sizes between 7.2 and 12.

Effect of size confinement on skyrmionic properties of MnSi nanomagnets.

Bulk magnetic materials with the noncentrosymmetric cubic B20 structure are fascinating due to skyrmion spin structures associated with Dzyaloshinskii-Moriya interactions, but the size of skyrmions are generally larger than 50 nm. The control of such spin structures in the 10 nm size ranges is essential to explore them for spintronics, ultra-high-density magnetic recording, and other applications. In this study, we have fabricated MnSi nanoparticles with average sizes of 9.

Effect of boron doping on nanostructure and magnetism of rapidly quenched ZrCo-based alloys.

The role of B on the microstructure and magnetism of ZrCo MoB ribbons prepared by arc melting and melt spinning is investigated. Microstructure analysis show that the ribbons consist of a hard-magnetic rhombohedral ZrCo phase and a minor amount of soft-magnetic Co. We show that the addition of B increases the amount of hard-magnetic phase, reduces the amount of soft-magnetic Co and coarsens the grain size from about 35 nm to 110 nm.

Mn5Si3 Nanoparticles: Synthesis and Size-Induced Ferromagnetism.

Mn-based silicides are fascinating due to their exotic spin textures and unique crystal structures, but the low magnetic ordering temperatures and/or small magnetic moments of bulk alloys are major impediments to their use in practical applications. In sharp contrast to bulk Mn5Si3, which is paramagnetic at room temperature and exhibits low-temperature antiferromagnetic ordering, we show ferromagnetic ordering in Mn5Si3 nanoparticles with a high Curie temperature (Tc ≈ 590 K). The Mn5Si3 nanoparticles have an average size of 8.

Magnetic nanostructuring and overcoming Brown's paradox to realize extraordinary high-temperature energy products.

Nanoscience has been one of the outstanding driving forces in technology recently, arguably more so in magnetism than in any other branch of science and technology. Due to nanoscale bit size, a single computer hard disk is now able to store the text of 3,000,000 average-size books, and today's high-performance permanent magnets--found in hybrid cars, wind turbines, and disk drives--are nanostructured to a large degree. The nanostructures ideally are designed from Co- and Fe-rich building blocks without critical rare-earth elements, and often are required to exhibit high coercivity and magnetization at elevated temperatures of typically up to 180 °C for many important permanent-magnet applications.

Size-induced chemical and magnetic ordering in individual Fe-Au nanoparticles.

Formation of chemically ordered compounds of Fe and Au is inhibited in bulk materials due to their limited mutual solubility. However, here we report the formation of chemically ordered L12-type Fe3Au and FeAu3 compounds in Fe-Au sub-10 nm nanoparticles, suggesting that they are equilibrium structures in size-constrained systems. The stability of these L12-ordered Fe3Au and FeAu3 compounds along with a previously discovered L10-ordered FeAu has been explained by a size-dependent equilibrium thermodynamic model.

Ultrahigh-density sub-10 nm nanowire array formation via surface-controlled phase separation.

We present simple, self-assembled, and robust fabrication of ultrahigh density cobalt nanowire arrays. The binary Co-Al and Co-Si systems phase-separate during physical vapor deposition, resulting in Co nanowire arrays with average diameter as small as 4.9 nm and nanowire density on the order of 10(16)/m(2).

Structural and magnetic evolution of bimetallic MnAu clusters driven by asymmetric atomic migration.

The nanoscale structural, compositional, and magnetic properties are examined for annealed MnAu nanoclusters. The MnAu clusters order into the L1(0) structure, and monotonic size-dependences develop for the composition and lattice parameters, which are well reproduced by our density functional theory calculations. Simultaneously, Mn diffusion forms 5 Å nanoshells on larger clusters inducing significant magnetization in an otherwise antiferromagnetic system.

Novel nanostructured rare-earth-free magnetic materials with high energy products.

Novel nanostructured Zr2 Co11 -based magnetic materials are fabricated in a single step process using cluster-deposition method. The composition, atomic ordering, and spin structure are precisely controlled to achieve a substantial magnetic remanence and coercivity, as well as the highest energy product for non-rare-earth and Pt-free permanent-magnet alloys.

Accessibility and selective stabilization of the principal spin states of iron by pyridyl versus phenolic ketimines: modulation of the 6A1 ↔ 2T2 ground-state transformation of the [FeN4O2]+ chromophore.

Several potentially tridentate pyridyl and phenolic Schiff bases (apRen and HhapRen, respectively) were derived from the condensation reactions of 2-acetylpyridine (ap) and 2'-hydroxyacetophenone (Hhap), respectively, with N-R-ethylenediamine (RNHCH(2)CH(2)NH(2), Ren; R = H, Me or Et) and complexed in situ with iron(II) or iron(III), as dictated by the nature of the ligand donor set, to generate the six-coordinate iron compounds [Fe(II)(apRen)(2)]X(2) (R = H, Me; X(-) = ClO(4)(-), BPh(4)(-), PF(6)(-)) and [Fe(III)(hapRen)(2)]X (R = Me, Et; X(-) = ClO(4)(-), BPh(4)(-)). Single-crystal X-ray analyses of [Fe(II)(apRen)(2)](ClO(4))(2) (R = H, Me) revealed a pseudo-octahedral geometry about the ferrous ion with the Fe(II)-N bond distances (1.896-2.

Enhancement of the critical current density in FeO-coated MgB(2) thin films at high magnetic fields.

The effect of depositing FeO nanoparticles with a diameter of 10 nm onto the surface of MgB(2) thin films on the critical current density was studied in comparison with the case of uncoated MgB(2) thin films. We calculated the superconducting critical current densities (J(c)) from the magnetization hysteresis (M-H) curves for both sets of samples and found that the J(c) value of FeO-coated films is higher at all fields and temperatures than the J(c) value for uncoated films, and that it decreases to ~10(5) A/cm(2) at B = 1 T and T = 20 K and remains approximately constant at higher fields up to 7 T.

Theoretical and experimental characterization of structures of MnAu nanoclusters in the size range of 1-3 nm.

Relative stabilities of MnAu magic-number nanoclusters with 55, 147, 309, and 561 atoms and highly symmetric morphologies (cuboctahedron, icosahedron, onion-like, and core-shell, respectively) are investigated based on density functional theory methods. Through an extensive search, spin arrangements on Mn atoms that give rise to lowest-energy clusters are predicted. The antiferromagnetic spin configurations are found to be the most favorable for all morphologies investigated.

Cluster synthesis of monodisperse rutile-TiO2 nanoparticles and dielectric TiO2-vinylidene fluoride oligomer nanocomposites.

The embedding of oxide nanoparticles in polymer matrices produces a greatly enhanced dielectric response by combining the high dielectric strength and low loss of suitable host polymers with the high electric polarizability of nanoparticles. The fabrication of oxide-polymer nanocomposites with well-controlled distributions of nanoparticles is, however, challenging due to the thermodynamic and kinetic barriers between the polymer matrix and nanoparticle fillers. In the present study, monodisperse TiO(2) nanoparticles having an average particle size of 14.

Cluster synthesis and direct ordering of rare-earth transition-metal nanomagnets.

Rare-earth transition-metal (R-TM) alloys show superior permanent magnetic properties in the bulk, but the synthesis and application of R-TM nanoparticles remains a challenge due to the requirement of high-temperature annealing above about 800 °C for alloy formation and subsequent crystalline ordering. Here we report a single-step method to produce highly ordered R-TM nanoparticles such as YCo(5) and Y(2)Co(17), without high-temperature thermal annealing by employing a cluster-deposition system and investigate their structural and magnetic properties. The direct ordering is highly desirable to create and assemble R-TM nanoparticle building blocks for future permanent-magnet and other significant applications.

Novel Nd(2)Fe(14)B nanoflakes and nanoparticles for the development of high energy nanocomposite magnets.

High energy ball milling has been shown to be a promising method for large-scale fabrication of rare earth-transition metal nanoparticles. In this work, magnetically hard Nd-Fe-B nanopowders with a coercivity in the range of 1.2-4 kOe have been produced by surfactant-assisted ball milling of nanocrystalline precursor alloys.

Synthesis of monodisperse TiO2-paraffin core-shell nanoparticles for improved dielectric properties.

Core-shell structures of oxide nanoparticles having a high dielectric constant, and organic shells with large breakdown field are attractive candidates for large electrical energy storage applications. A high growth temperature, however, is required to obtain the dielectric oxide nanoparticles, which affects the process of core-shell formation and also leads to poor control of size, shape, and size-distribution. In this communication, we report a new synthetic process to grow core-shell nanoparticles by means of an experimental method that can be easily adapted to synthesize core-shell structures from a variety of inorganic-organic or inorganic-inorganic materials.

MFM studies of interlayer exchange coupling in Co/Ru/Co films: Effect of Ru layer thickness.

Antiferromagnetically coupled magnetic thin films are promising candidates for the design of new magnetic storage and logic devices. The ability to control the interlayer thickness, therefore the magnetic reversal response, of exchange-coupled magnetic layers is of paramount importance in nanotechnology, especially in magnetic sensing element design and applications. In this work, magnetic force microscopy (MFM) with improved sensitivity and high spatial resolution probes was used to obtain a more detailed view of magnetization reversal behavior and domain evolution in the indirect exchange-coupled trilayer system: Co/Ru/Co.