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At least 811 records · Page 45

A Multiphysics Thermoelastoviscoplastic Damage Internal State Variable Constitutive Model including Magnetism

We present a macroscale constitutive model that couples magnetism with thermal, elastic, plastic, and damage effects in an Internal State Variable (ISV) theory. Previous constitutive models did not include an interdependence between the internal magnetic (magnetostriction and magnetic flux) and mechanical fields. Although constitutive models explaining the mechanisms behind mechanical deformations caused by magnetization changes have been presented in the literature, they mainly focus on nanoscale structure–property relations. A fully coupled multiphysics macroscale ISV model presented herein admits lower length scale information from the nanoscale and microscale descriptions of the multiphysics behavior, thus capturing the effects of magnetic field forces with isotropic and anisotropic magnetization terms and moments under thermomechanical deformations. For the first time, this ISV modeling framework internally coheres to the kinematic, thermodynamic, and kinetic relationships of deformation using the evolving ISV histories. For the kinematics, a multiplicative decomposition of deformation gradient is employed including a magnetization term; hence, the Jacobian represents the conservation of mass and conservation of momentum including magnetism. The first and second laws of thermodynamics are used to constrain the appropriate constitutive relations through the Clausius–Duhem inequality. The kinetic framework employs a stress–strain relationship with a flow rule that couples the thermal, mechanical, and magnetic terms. Experimental data from the literature for three different materials (iron, nickel, and cobalt) are used to compare with the model’s results showing good correlations.

36 MATERIALS SCIENCE↗

A Multiphysics Thermoelastoviscoplastic Damage Internal State Variable Constitutive Model including Magnetism

We present a macroscale constitutive model that couples magnetism with thermal, elastic, plastic, and damage effects in an Internal State Variable (ISV) theory. Previous constitutive models did not include an interdependence between the internal magnetic (magnetostriction and magnetic flux) and mechanical fields. Although constitutive models explaining the mechanisms behind mechanical deformations caused by magnetization changes have been presented in the literature, they mainly focus on nanoscale structure–property relations. A fully coupled multiphysics macroscale ISV model presented herein admits lower length scale information from the nanoscale and microscale descriptions of the multiphysics behavior, thus capturing the effects of magnetic field forces with isotropic and anisotropic magnetization terms and moments under thermomechanical deformations. For the first time, this ISV modeling framework internally coheres to the kinematic, thermodynamic, and kinetic relationships of deformation using the evolving ISV histories. For the kinematics, a multiplicative decomposition of deformation gradient is employed including a magnetization term; hence, the Jacobian represents the conservation of mass and conservation of momentum including magnetism. The first and second laws of thermodynamics are used to constrain the appropriate constitutive relations through the Clausius–Duhem inequality. The kinetic framework employs a stress–strain relationship with a flow rule that couples the thermal, mechanical, and magnetic terms. Experimental data from the literature for three different materials (iron, nickel, and cobalt) are used to compare with the model’s results showing good correlations.

36 MATERIALS SCIENCE↗

Magnetization-steps in Y₂CoMnO₆ double perovskite: The role of antisite disorder

Antisite disorder is observed to have significant impact on the magnetic properties of the double perovskite Y²CoMnO₆ which has been recently identified as a multiferroic. A paramagnetic-ferromagnetic phase transition occurs in this material at T c ≈ 75 K. At 2 K, it displays a strong ferromagnetic hysteresis with a significant coercive field of H c ≈ 15 kOe. Sharp steps are observed in the hysteresis curves recorded below 8 K. In the temperature range 2 K ≤ T ≤ 5 K, the hysteresis loops are anomalous as the virgin curve lies outside the main loop. The field-cooling conditions as well as the rate of field-sweep are found to influence the steps. Quantitative analysis of the neutron diffraction data shows that at room temperature, Y₂CoMnO₆ consists of 62% of monoclinic P2₁/n with nearly 70% antisite disorder and 38% Pnma. The bond valence sums indicate the presence of other valence states for Co and Mn which arise from disorder. We explain the origin of steps by using a model for pinning of magnetization at the antiphase boundaries created by antisite disorder. The steps in magnetization closely resemble the martensitic transformations found in intermetallics and display first-order characteristics as revealed in the Arrott's plots.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Impact of Ultra-Conducting Winding on the Power Density and Performance of Non-Heavy Rare Earth Traction Motors

The emergence of carbon nanotube-copper composite conductors has opened a new degree of freedom in the electric machine design to improve the machine's performance: the conductivity of the winding. The goal of the present study is: 1) to determine how much improvement in power per unit volume and performance can be achieved with the increase in winding conductivity; and 2) to investigate any physical limitations on the effectiveness of this degree of freedom in improving the power per unit volume and performance of electric traction motors. Conventional electric motor topologies affected by ferromagnetic saturation as well as slotless topology that is not affected by saturation are analyzed. It was found that the ferromagnetic saturation of the lamination materials reduces the effectiveness of highly conductive winding in improving the power per unit volume. For machine topologies that are not affected by ferromagnetic saturation, the power density improvement reaches the theoretical expectation. In both cases, highly conductive winding improves the efficiency map by enlarging high efficiency operating area into light load as well as high speed operations.

Raminosoa, Tsarafidy↗

A Minimal tight-binding model for ferromagnetic canted bilayer manganites

Half-metallicity in materials has been a subject of extensive research due to its potential for applications in spintronics. Ferromagnetic manganites have been seen as a good candidate and aside from a small minority-spin pocket observed in La 2–2 x Sr 1+2 x Mn 2 O 7 ( x = 0.38), transport measurements show that ferromagnetic manganites essentially behave like half metals. Here we develop robust tight-binding models to describe the electronic band structure of the majority as well as minority spin states of ferromagnetic, spin-canted antiferromagnetic and fully antiferromagnetic bilayer manganites. Both the bilayer coupling between the MnO 2 planes and the mixing of the | x 2 – y 2 > and |3 z 2 – r 2 > Mn 3d orbitals play an important role in the subtle behavior of the bilayer splitting. Effects of k z dispersion are included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Investigation of the Substituting Effect of Chromium on the Electronic Structures and the Half-Metallic Ferromagnetic Properties of BaO

The first-principle methods of density functional theory were used to investigate the doping effect of 3d chromium (Cr) impurities on the electronic properties and the ferromagnetic arrangement of (BaO) barium oxide such as Ba{sub 1−x}Cr{sub x}O compounds at concentrations x = 0.25, 0.5, and 0.75. The p–d exchange coupling between 2p states of oxygen (O) and 3d (Cr) partially filled levels induces magnetism in the Ba{sub 1−x}Cr{sub x}O compounds. The majority- and minority-spin states exhibit respectively metallic and semiconducting features, leading to a half-metallic (HM) character with 100% spin polarization for all concentrations. The Ba{sub 0.75}Cr{sub 0.25}O, Ba{sub 0.5}Cr{sub 0.5}O, and Ba{sub 0.25}Cr{sub 0.75}O compounds have integral total magnetic moments of 4 μ{sub B} per Cr atom with HM gaps of 0.055, 0.218, and 0.308 eV, respectively. These behaviors form accurate half-metallic ferromagnets and make Ba{sub 1−x}Cr{sub x}O as potential materials for possible spintronics applications.

36 MATERIALS SCIENCE↗

Cr silicate as a prototype for engineering magnetic phases in air-stable two-dimensional transition-metal silicates

Abstract Identifying environmentally inert, ferromagnetic two-dimensional (2D) materials with high Curie temperatures ( T c ) down to the single layer limit has been an obstacle to fundamental studies of 2D magnetism and application of 2D heterostructures to spin-polarized devices. To address this challenge, the growth, structure and magnetic properties of a 2D Cr-silicate single layer on Pt(111) was investigated experimentally and theoretically. The layer was grown by sequentially depositing SiO and Cr followed by annealing in O 2 . Scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), and low energy electron microscopy all indicated a well-ordered layer that uniformly covered the surface, with STM and LEED indicating that the silicate relaxed to its favored lattice constant. Further experimental characterizations demonstrated that the Cr was nominally 3+ but with a lower electron density than typical trivalent Cr compounds. Comparison with theory identified a Cr 2 Si 2 O 9 structure that resembles a single layer of a dehydrogenated dioctahedral silicate. Magnetic circular dichroism in x-ray absorption spectroscopy revealed a ferromagnetically ordered state up to at least 80 K. Theoretical analysis revealed that the Cr in a dehydrogenated Cr-silicate/Pt(111) is more oxidized than Cr in freestanding Cr 2 Si 2 O 9 H 4 layers. This greater oxidation was found to enhance ferromagnetic coupling and suggests that the magnetism may be tuned by doping. The 2D Cr-silicate is the first member of a broad series of possible layered first-row transition metal silicates with magnetic order; thus, this paper introduces a new platform for investigating 2D ferromagnetism and the development of magnetoelectronic and spintronic devices by stacking 2D atomic layers.

2D materials↗

Synergy effect in sonodegradation of organic dye using graphene based magnetite composite materials

Owing to the unique physical properties, nanographene platelets could act as a good recombination inhibitor for functional materials. In this study, various concentrations of nanographene platelets are introduced to ferromagnetic Fe{sub 3}O{sub 4} nanoparticles to remove methylene blue in aqueous solution under ultrasonic irradiation. The coupling of nanographene platelets with Fe{sub 3}O{sub 4} nanoparticles is formed using hydrothermal method. Compared to pure Fe{sub 3}O{sub 4} nanoparticles, Fe{sub 3}O{sub 4}–nanographene platelets (Fe{sub 3}O{sub 4}–NGP) composites exhibited higher catalytic efficiency for methylene blue removal under ultrasonic irradiation. The catalytic efficiency increase with increasing nanographene platelets loading from 1 wt.% until 5 wt% and further decreased. From the scavenger technique, it is revealed that hole plays an important key role in sonocatalytic processes. The degradation efficiency decreased only 12% after 4 cycled.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Prediction of room-temperature multiferroicity in strained MoCr 2 S 6 monolayer

The contrasting d-orbital occupation required for ferroelectricity vs ferromagnetism makes it difficult for their coexistence in two-dimensional materials, especially at high temperature. To resolve this intrinsic contradiction, we propose a layered MoCr 2 S 6 multiferroics by alloying magnetic Cr element into the ferroelectric 1T phase of the MoS 2 matrix. First-principles calculations disclose that a spontaneous symmetry breaking, depending on the Mo atom displacement, leads to a robust ferroelectricity, which coexists with a ferromagnetic order originated from two neighboring Cr atoms. The effect can be further enhanced by tensile strain to bring about a room-temperature multiferroicity. Our results shed new light on the fundamental understanding of multiferroics and display promising applications in spintronics and multistate data storage.

2D materials↗

Final Technical Report Grant No. DE-FG02-97ER45653 Lance E. De Long, Principal Investigator, University of Kentucky Period of Performance: 09/01/97 to 05/14/15

Prior to 1997, the PI had studied the unusual upper critical magnetic field phase boundaries of several novel or exotic types of superconductors, including charge density wave materials such as NbSe 2 , organic superconductors such as κ-(ET) 2 Cu[N(CN) 2 ]Br, high-temperature oxide superconductors such as (Ba,K)BiO 3 and the cuprates, heavy fermion superconductors such as U 6 Fe, UBe 13 , URu 2 Si 2 and UPt 3 , and re-entrant Kondo alloys such as (La,Ce)Al 2 and ferromagnetic superconductors such as ErRh 4 B 4 . Most of these materials exhibited marked positive or negative curvature of H C2 (T) which could not be explained by traditional pair-breaking models. It became clear that many of these materials had very short coherence lengths that made quantized vortices highly mobile (depinned) near the phase boundary, and the fundamental, equilibrium H C2 (T) difficult to measure using finite field or current drives. These problems made the underlying physics obscure, and led to erroneous interpretations of experimental data in terms of models of exotic superconducting pairing mechanisms. Around 1995, these issues led the PI to take advantage of modern electron beam lithography techniques for patterning superconducting and ferromagnetic thin films on the nanoscale. Primarily due to strong magnetic shape anisotropy effects, EBL patterning has led to enhanced control of the spatial distribution and dynamics of topological defects such as domain walls and magnetic vortices, which can create serious energy dissipation and other limitations for modern devices. Moreover, finite size and interface effects also strongly alter phase transition temperatures and phase boundaries of superconducting and magnetic films, as well as introduce barriers to equilibration, enhanced fluctuations and alter magnetic relaxation. Geometrical frustration and spin ice behavior can also be systematically controlled in patterned film media. Film patterning thus provides an excellent tool for conducting highly-controlled, fundamental studies of cooperative phases and interactions in artificially structured condensed matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Efficient Optical Control of Magnon Dynamics in van der Waals Ferromagnets

Optical control of magnons in two-dimensional (2D) materials promises new functionalities for spintronics and magnonics in atomically thin devices. Here, we report control of magnon dynamics, using laser polarization, in a ferromagnetic van der Waals (vdW) material, Fe 3.6 Co 1.4 GeTe 2 . The magnon amplitude, frequency, and lifetime are controlled and monitored by time-resolved pump-probe spectroscopy. We show substantial (over 25%) and continuous modulation of magnon dynamics as a function of incident laser polarization. Our results suggest that the modification of the effective demagnetization field and magnetic anisotropy by the pump laser pulses with different polarizations is due to anisotropic optical absorption. This implies that pump laser pulses modify the local spin environment, which enables the launch of magnons with tunable dynamics. Our first-principles calculations confirm the anisotropic optical absorption of different crystal orientations. Our findings suggest a new route for the development of opto-spintronic or opto-magnonic devices.

36 MATERIALS SCIENCE↗

From Complex Magnetism Ordering to Simple Ferromagnetism in Two-Dimensional LaCrSb 3 by Hole Doping

Competing orders widely exist in many material systems, such as superconductivity, magnetism, and ferroelectricity; LaCrSb 3 is a highly anisotropic magnetic material in which the spins are aligned ferromagnetically in one direction and canted antiferromagnetically in another in the Cr-Sb chains. Hole doping with Sr 2+ and Ca 2+ in the La site suppresses the antiferromagnetic correlations and transforms the anisotropic magnetic order into a ferromagnetic lattice in all directions. Here, first-principles density functional theory calculations show that the canted magnetic order becomes energetically less favorable compared to the FM order upon hole doping. Doping in the La site is an effective approach to modulate the competing orders in LaCrSb 3 .

36 MATERIALS SCIENCE↗

Topological properties of ferromagnetic superconductors

Here, a variety of heavy fermion superconductors, such as UCoGe, UGe 2 , and URhGe exhibit a striking coexistence of bulk ferromagnetism and superconductivity. In the first two materials, the magnetic moment decreases with pressure, and vanishes at a ferromagnetic quantum critical point (qcp). Remarkably, the superconductivity in UCoGe varies smoothly with pressure across the qcp and exists in both the ferromagnetic and paramagnetic regimes. We argue that in UCoGe, spin-orbit interactions stabilize a time-reversal invariant odd-parity superconductor in the high pressure paramagnetic regime. Based on a simple phenomenological model, we predict that the transition from the paramagnetic normal state to the phase where superconductivity and ferromagnetism coexist is a first-order transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

First principles DFT study of ferromagnetism in SnO{sub 2} induced by doped group 1A and 2A non-magnetic elements X (X=Li, Na, K, Be, Mg, Ca)

Transition metal - free - ferromagnetism in diluted magnetic semiconductors (DMS) is of much current interest in the search for more efficient DMS materials for spintronic applications. Here, we report the results of our first principles density functional theory (DFT) study on impurity - induced ferromagnetism in non-magnetic SnO{sub 2} by a non-magnetic impurity. The impurities considered are sp-type of group 1A and 2A elements X (X = Li, Na, K, Be, Mg, Ca). Even a single atom of the group 1A elements makes the system magnetic, whereas for the group 2A elements Ca and Mg, a higher doping is required to induce ferromagnetism. For all the elements studied, the magnetic moment appears to increase with the doping concentration, at least at certain impurity separations, which is a positive indicator for practical applications.

36 MATERIALS SCIENCE↗

Highly Efficient Room‐Temperature Spin‐Orbit‐Torque Switching in a Van der Waals Heterostructure of Topological Insulator and Ferromagnet

Abstract All‐Van der Waals (vdW)‐material‐based heterostructures with atomically sharp interfaces offer a versatile platform for high‐performing spintronic functionalities at room temperature. One of the key components is vdW topological insulators (TIs), which can produce a strong spin‐orbit‐torque (SOT) through the spin‐momentum locking of their topological surface state (TSS). However, the relatively low conductance of the TSS introduces a current leakage problem through the bulk states of the TI or the adjacent ferromagnetic metal layers, reducing the interfacial charge‐to‐spin conversion efficiency ( q ICS ). Here, a vdW heterostructure is used consisting of atomically‐thin layers of a bulk‐insulating TI Sn‐doped Bi 1.1 Sb 0.9 Te 2 S 1 and a room‐temperature ferromagnet Fe 3 GaTe 2, to enhance the relative current ratio on the TSS up to ≈20%. The resulting q ICS reaches ≈1.65 nm −1 and the critical current density J c ≈0.9 × 10 6 Acm −2 at 300 K, surpassing the performance of TI‐based and heavy‐metal‐based SOT devices. These findings demonstrate that an all‐vdW heterostructure with thickness optimization offers a promising platform for efficient current‐controlled magnetization switching at room temperature.

2D ferromagnet↗

Low-Temperature Magnetization Switching of Bilayer FeNi/FeMn Films

A change in the kinetics of magnetization reversal of a bilayer ferromagnet–antiferromagnet film during a decrease in the temperature is experimentally detected. The motion of a zigzag domain wall is typical of high-temperature conditions, and the system undergoes magnetization reversal by irregular rotation at low temperatures. This phenomenon is found to occur only in a coupled system of layers with exchange anisotropy: it is absent when the antiferromagnetic layer is removed. The change in the character of magnetization reversal at low temperatures is related to the appearance of specific pinning of domain walls, which is caused by interface regions with a varying chirality of an interlayer exchange spring and a perpendicular magnetic anisotropy at interface steps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Direct Observation of Magnetic Bubble Lattices and Magnetoelastic Effects in van der Waals Cr 2 Ge 2 Te 6

Abstract Ferromagnetic van der Waals (vdW) materials are of large current interest for the fundamental study of low‐dimensional magnetism and for potential applications in multilayer heterostructures. Cr 2 Ge 2 Te 6 (CGT) is particularly exciting because it is a ferromagnetic semiconductor with tunable electronic and magnetic properties. Controlling the magnetic domain structure of CGT is a requirement for understanding its novel interface physics and for tuning behavior for potential devices. Herein, cryo‐Lorentz transmission electron microscopy is performed in the temperature range of 12–50K to directly image the magnetic domain structures in CGT. A rich phase diagram of domain structures including stripe domains, magnetic bubble lattices of mixed‐chirality, and topologically‐protected lattices of homochiral magnetic bubbles is observed. The types and chiralities of the bubbles can be controlled by topographical changes in the CGT flakes. Additionally, it is observed that in‐plane strain and magnetoelastic coupling can align and organize both bubble lattices and stripe domains. This study provides insights into creating and controlling complex magnetic domain structures for integration into multilayer heterostructures and for future studies of 2D magnetism.

36 MATERIALS SCIENCE↗

( LaCo O 3 ) n / ( SrCo O 2.5 ) n superlattices: Tunable ferromagnetic insulator

Ferromagnetic insulators have great potential for spintronic applications. For such applications, it is essential to find materials with a robust and controllable ferromagnetic insulating phase. Yet, because ferromagnetism in functional transition-metal oxides is usually coupled to metallicity, ferromagnetic insulators are very rare and independent control of their magnetic and electrical properties is difficult. In this study, the electrical, magnetic, and optical properties of (LaCoO 3 ) n /(SrCoO 2.5 ) n superlattice films are investigated for the manipulation of the ferromagnetic insulating phase. While the superlattices remain insulating irrespective of the periodicity n, the electronic structure and magnetic state vary drastically. Superlattices with large periodicities n of 10 and 20 show a ferromagnetic transition at a critical temperature T C of ~80K. With decreasing periodicity and increasing interface density of the superlattices, system with n =4 becomes almost nonmagnetic, while in systems with n =2 and 1, a reentrant ferromagnetic phase is observed at T C of ~180 and ~225K, respectively. Optical spectroscopy reveals that the fine control of the magnetic ground state is achieved by the modified electronic structure associated with the spin-state transition. Our findings indicate an important design principle to create and manipulate the ferromagnetic insulating properties of Co-based oxide thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗