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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Electric control of a canted-antiferromagnetic Chern insulator

Abstract The interplay between band topology and magnetism can give rise to exotic states of matter. For example, magnetically doped topological insulators can realize a Chern insulator that exhibits quantized Hall resistance at zero magnetic field. While prior works have focused on ferromagnetic systems, little is known about band topology and its manipulation in antiferromagnets. Here, we report that MnBi 2 Te 4 is a rare platform for realizing a canted-antiferromagnetic (cAFM) Chern insulator with electrical control. We show that the Chern insulator state with Chern number C = 1 appears as the AFM to canted-AFM phase transition happens. The Chern insulator state is further confirmed by observing the unusual transition of the C = 1 state in the cAFM phase to the C = 2 orbital quantum Hall states in the magnetic field induced ferromagnetic phase. Near the cAFM-AFM phase boundary, we show that the dissipationless chiral edge transport can be toggled on and off by applying an electric field alone. We attribute this switching effect to the electrical field tuning of the exchange gap alignment between the top and bottom surfaces. Our work paves the way for future studies on topological cAFM spintronics and facilitates the development of proof-of-concept Chern insulator devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Designed metal-insulator transition in low-symmetry magnetic intermetallics

Compounds exhibiting half-metallic character and metal-insulator transitions draw considerable attention in condensed-matter and materials physics due to their potential use in spintronics. Here we show that specific electron doping plays a crucial role in tailoring thermodynamic, structural, electronic, and magnetic properties of materials derived from low-symmetry magnetic intermetallics, exemplified on triclinic Mn 4 Al 11 . Upon chemical doping of Al by Ge, we predict improved phase stability and adherence to a generalized “18-n rule” governing closed-shell configurations in intermetallic with narrow bandgaps. Validating experiments include measurements of phase stability and electronic transport properties of electron-doped Mn 4 Al 10 Ge that crystallizes in the Mn 4 Al 11 -type structure, confirming the bandgap opening as predicted by chemical analysis and density-functional theory. Here we also demonstrate theoretically that hydrostatic pressure enhances the predicted half-metallic gap in the up-spin channel, which leads to a ferrimagnetic-to-ferromagnetic transition driven by Mn-Mn charge ordering in the Mn 4 Al 11 parent. We have also discussed the generality of our approach in predicting the design of other classes of intermetallics including half and full Heusler compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Magnetic quantum phase transition in Cr-doped Bi 2 (Se x Te 1-x ) 3 driven by the Stark effect

The interplay between magnetism and topology, as exemplified in the magnetic skyrmion systems, has emerged as a rich playground for finding novel quantum phenomena and applications in future information technology. Magnetic topological insulators (TI) have attracted much recent attention, especially after the experimental realization of quantum anomalous Hall effect. Future applications of magnetic TI hinge on the accurate manipulation of magnetism and topology by external perturbations, preferably with a gate electric field. In this work, we investigate the magneto transport properties of Cr doped Bi 2 (Se x Te 1-x ) 3 TI across the topological quantum critical point (QCP). We find that the external gate voltage has negligible effect on the magnetic order for samples far away from the topological QCP. However, for the sample near the QCP, we observe a ferromagnetic (FM) to paramagnetic (PM) phase transition driven by the gate electric field. Theoretical calculations show that a perpendicular electric field causes a shift of electronic energy levels due to the Stark effect, which induces a topological quantum phase transition and consequently a magnetic phase transition. Finally, the in situ electrical control of the topological and magnetic properties of TI shed important new lights on future topological electronic or spintronic device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High-throughput search for magnetic topological materials using spin-orbit spillage, machine learning, and experiments

Magnetic topological insulators and semi-metals have a variety of properties that make them attractive for applications including spintronics and quantum computation. Here, we use systematic high-throughput density functional theory calculations to identify magnetic topological materials from the ≈ 40000 three-dimensional materials in the JARVIS-DFT database. First, we screen materials with net magnetic moment > 0.5 μB and spin-orbit spillage > 0.25, resulting in 25 insulating and 564 metallic candidates. The spillage acts as a signature of spin-orbit induced band-inversion. Then, we carry out calculations of Wannier charge centers, Chern numbers, anomalous Hall conductivities, surface bandstructures, and Fermi-surfaces to determine interesting topological characteristics of the screened compounds. We also train machine learning models for predicting the spillage, bandgaps, and magnetic moments of new compounds, to further accelerate the screening process. We experimentally synthesize and characterize a few candidate materials to support our theoretical predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Sharp spectroscopic fingerprints of disorder in an incompressible magnetic state

Disorder significantly impacts the electronic properties of conducting quantum materials by inducing electron localization and thus altering the local density of states and electric transport. In insulating quantum magnetic materials, the effects of disorder are less understood and can drastically impact fluctuating spin states like quantum spin liquids. In the absence of transport tools, disorder is typically characterized using chemical methods or by semi-classical modeling of spin dynamics. This requires high magnetic fields that may not always be accessible. Here, we show that magnetization plateaus—incompressible states found in many quantum magnets—provide an exquisite platform to uncover small amounts of disorder, regardless of the origin of the plateau. Using optical magneto-spectroscopy on the Ising-Heisenberg triangular-lattice antiferromagnet K 2 Co(SeO 3 ) 2 exhibiting a 1/3 magnetization plateau, we identify sharp spectroscopic lines, the fine structure of which serves as a hallmark signature of disorder. Through analytical and numerical modeling, we show that these fingerprints not only enable us to quantify minute amounts of disorder but also reveal its nature—as dilute vacancies. Remarkably, this model explains all details of the thermomagnetic response of our system, including the existence of multiple plateaus. Our findings provide a new approach to identifying disorder in quantum magnets.

Infrared spectroscopy↗
DOE OSTI2020

Unveiling the Finite Temperature Physics of Hydrogen Chains via Auxiliary Field Quantum Monte Carlo

The ability to accurately predict the finite temperature properties and phase diagrams of realistic quantum solids is central to uncovering new phases and engineering materials with novel properties ripe for device applications. Nonetheless, there remain comparatively few many-body techniques capable of elucidating the finite temperature physics of solids from first principles. Here, we take a significant step toward developing such a technique by generalizing our previous, exact fully ab initio finite temperature Auxiliary Field Quantum Monte Carlo (FT-AFQMC) method to model periodic solids and employing it to uncover the finite temperature physics of periodic hydrogen chains. Our chains’ unit cells consist of 10 hydrogen atoms modeled in a minimal basis, and we sample 5 k-points from the first Brillouin zone to arrive at a supercell consisting of 50 orbitals and 50 electrons. Based upon our calculations of these chains’ many-body energies, free energies, entropies, heat capacities, double and natural occupancies, and charge and spin correlation functions, we outline their metal–insulator and magnetic ordering as a function of both H–H bond distance and temperature. At low temperatures approaching the ground state, we observe both metal–insulator and ferromagnetic–antiferromagnetic crossovers at bond lengths between 0.5 and 0.75 Å. We then demonstrate how this low-temperature ordering evolves into a metallic phase with decreasing magnetic order at higher temperatures. In order to contextualize our results, we compare the features we observe to those previously seen in one-dimensional, half-filled Hubbard models at finite temperature and in ground state hydrogen chains. Interestingly, we identify signatures of the Pomeranchuk effect in hydrogen chains for the first time and show that spin and charge excitations that typically arise at distinct temperatures in the Hubbard model are indistinguishably coupled in these systems. Beyond qualitatively revealing the many-body phase behavior of hydrogen chains in a numerically exact manner without invoking the phaseless approximation, our efforts shed light on the further theoretical developments that will be required to construct the phase diagrams of the more complex transition metal, lanthanide, and actinide solids of longstanding interest to physicists.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Chemically induced large-gap quantum anomalous Hall insulator states in III-Bi honeycombs

The search for novel materials with new functionalities and applications potential is continuing to intensify. Quantum anomalous Hall (QAH) effect was recently realized in magnetic topological insulators (TIs) but only at extremely low temperatures. Here, based on our first-principles electronic structure calculations, we predict that chemically functionalized III-Bi honeycombs can support large-gap QAH insulating phases. Specifically, we show that functionalized AlBi and TlBi films harbor QAH insulator phases. GaBi and InBi are identified as semimetals with non-zero Chern number. Remarkably, TlBi exhibits a robust QAH phase with a band gap as large as 466 meV in a buckled honeycomb structure functionalized on one side. Furthermore, the electronic spectrum of a functionalized TlBi nanoribbon with zigzag edge is shown to possess only one chiral edge band crossing the Fermi level within the band gap. Finally, our results suggest that III-Bi honeycombs would provide a new platform for developing potential spintronics applications based on the QAH effect.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Strong spin-dephasing in a topological insulator-paramagnet heterostructure

The interface between magnetic materials and topological insulators can drive the formation of exotic phases of matter and enable functionality through the manipulation of the strong spin polarized transport. Here, we report that the transport processes that rely on strong spin-momentum locking in the topological insulator Bi 2 Se 3 are completely suppressed by scattering at a heterointerface with the kagome-lattice paramagnet, Co 7 Se 8 . Bi 2 Se 3 –Co 7 Se 8 –Bi 2 Se 3 trilayer heterostructures were grown using molecular beam epitaxy, where magnetotransport measurements revealed a substantial suppression of the weak antilocalization effect for Co 7 Se 8 at thicknesses as thin as a monolayer, indicating a strong dephasing mechanism. Bi 2- x Co x Se 3 films, in which Co is in a non-magnetic 3 + state, show weak antilocalization that survives to higher than x = 0.4, which, in comparison with the heterostructures, suggests that the unordered moments of Co 2+ act as a far stronger dephasing element. This work highlights several important points regarding coherent transport processes involving spin-momentum locking in topological insulator interfaces and how magnetic materials can be integrated with topological materials to realize both exotic phases and novel device functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reconfigurable Magnetotransport in MnBi 2 Te 4 via Gate and Magnetic Field Tuning

The intrinsic magnetic topological insulator MnBi 2 Te 4 is a promising platform for exploring quantum phases with nontrivial band topology and for enabling electrical control over coupled magnetic and electronic phase transitions. In-plane magnetic fields, in particular, offer a distinct means of tuning these properties by strengthening quantized Hall effects, enhancing surface energy gaps, and driving spin reorientation transitions. However, a systematic understanding of how such fields affect magnetotransport is limited. Here, the magnetotransport behavior of few-layer MnBi 2 Te 4 as a function of gate voltage, temperature, and magnetic field angle, with a primary focus on in-plane field effects, are investigated. A gate-tunable crossover in magnetoresistance is observed from positive to negative values under in-plane magnetic fields as the gate voltage is swept below the charge neutrality point at temperatures below the Néel temperature. The in-plane field drives a transition from the antiferromagnetic ground state to a ferromagnetic configuration with spins aligned in-plane, while simultaneously altering the electronic structure, as revealed by gate-dependent transport features. The angle-dependent measurements reveal strongly gate-tunable magnetotransport anisotropy. These results establish in-plane magnetic fields as an effective tuning parameter for modulating spin and charge transport in MnBi 2 Te 4 , advancing prospects for reconfigurable spintronic and topological devices.

MnBi 2 Te 4↗
DOE OSTI2017

High-field magnetotransport in microstructures of the frustrated antiferromagnet Yb 2 Pt 2 Pb

Frustrated quantum magnets exhibit a rich variety of non-trivial quantum ground states due to their remnant entropy at zero temperature. Most studied materials are insulators, with magnetic coupling of localized spins mediated by exchange interactions. Yb 2 Pt 2 Pb (YPP) is a rare example of a metallic frustrated quantum magnet, where Yb 3+ J=7/2 moments are arranged in dimers forming a Shastry-Sutherland lattice. In addition, the itinerant charge carriers of the metal provide gapless excitations able to mediate magnetic interactions (RKKY) as well as hybridize with the 4f-states, which has been proposed to lead to a novel charge-orbital separation. YPP orders antiferromagnetically (AFM) below TN = 2.1 K, and strong g-factor anisotropy confines the spins into the ab planes. Accordingly, fields aligned parallel to the planes suppress the AFM order already below 4 T, while fields of up to 65 T along the c direction do not lead to saturation in the magnetization and step-like features even at B ~ 25 T were observed [4]. Here we probe the electronic structure of YPP by quantum oscillation and conductivity measurements in high fields, which tune the energy balance of the 4f states and thus the degree of charge-orbital separation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Two-dimensional ordering and collective magnetic excitations in the dilute ferromagnetic topological insulator ( Bi 0.95 Mn 0.05 ) 2 Te 3

Employing elastic and inelastic neutron scattering (INS) techniques, we introduce the microscopic properties of the ferromagnetism in the dilute magnetic topological insulator ( Bi 0.95 Mn 0.05 ) 2 Te 3 . Neutron diffraction of polycrystalline samples shows the ferromagnetic (FM) ordering is long range within the basal plane, and mainly two dimensional (2D) in character with short-range correlations between layers below T C ≈ 13 K. Remarkably, we observe gapped and collective magnetic excitations in this dilute magnetic system. The excitations appear typical of quasi-2D FM systems despite the severe broadening of short-wavelength magnons which is expected from the random spatial distribution of Mn atoms in the Bi planes. A detailed investigation of the INS provides the average values for exchange couplings which are consistent with reports of carrier-mediated interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Competing Magnetic Interactions in the Antiferromagnetic Topological Insulator MnBi 2 Te 4

The antiferromagnetic (AFM) compound MnBi 2 Te 4 is suggested to be the first realization of an AFM topological insulator. Here, we report on inelastic neutron scattering studies of the magnetic interactions in MnBi 2 Te 4 that possess ferromagnetic triangular layers with AFM interlayer coupling. The spin waves display a large spin gap and pairwise exchange interactions within the triangular layer are long ranged and frustrated by large next-nearest neighbor AFM exchange. The degree of frustration suggests proximity to a variety of magnetic phases, potentially including skyrmion phases, which could be accessed in chemically tuned compounds or upon the application of symmetry-breaking fields.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Recent progress of MnBi 2 Te 4 epitaxial thin films as a platform for realising the quantum anomalous Hall effect

Since the first realisation of the quantum anomalous Hall effect (QAHE) in a dilute magnetic-doped topological insulator thin film in 2013, the quantisation temperature has been limited to less than 1 K due to magnetic disorder in dilute magnetic systems. With magnetic moments ordered into the crystal lattice, the intrinsic magnetic topological insulator MnBi 2 Te 4 has the potential to eliminate or significantly reduce magnetic disorder and improve the quantisation temperature. Surprisingly, to date, the QAHE has yet to be observed in molecular beam epitaxy (MBE)-grown MnBi 2 Te 4 thin films at zero magnetic field, and what leads to the difficulty in quantisation is still an active research area. Although bulk MnBi 2 Te 4 and exfoliated flakes have been well studied, revealing both the QAHE and axion insulator phases, experimental progress on MBE thin films has been slower. Furthermore, understanding how the breakdown of the QAHE occurs in MnBi 2 Te 4 thin films and finding solutions that will enable mass-produced millimetre-size QAHE devices operating at elevated temperatures are required. In this mini-review, we will summarise recent studies on the electronic and magnetic properties of MBE MnBi 2 Te 4 thin films and discuss mechanisms that could explain the failure of the QAHE from the aspects of defects, electronic structure, magnetic order, and consequences of their delicate interplay. Finally, we propose several strategies for realising the QAHE at elevated temperatures in MnBi 2 Te 4 thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultra-thin lithium aluminate spinel ferrite films with perpendicular magnetic anisotropy and low damping

Ultra-thin films of low damping ferromagnetic insulators with perpendicular magnetic anisotropy have been identified as critical to advancing spin-based electronics by significantly reducing the threshold for current-induced magnetization switching while enabling new types of hybrid structures or devices. Here, we have developed a new class of ultra-thin spinel structure Li 0.5 Al 1.0 Fe 1.5 O 4 (LAFO) films on MgGa 2 O 4 (MGO) substrates with: 1) perpendicular magnetic anisotropy; 2) low magnetic damping and 3) the absence of degraded or magnetic dead layers. These films have been integrated with epitaxial Pt spin source layers to demonstrate record low magnetization switching currents and high spin-orbit torque efficiencies. These LAFO films on MGO thus combine all of the desirable properties of ferromagnetic insulators with perpendicular magnetic anisotropy, opening new possibilities for spin based electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Performance Evaluation of K-DEMO Cable-in-conduit Conductors Using the Florida Electro-Mechanical Cable Model

The United States ITER Project Office (USIPO) is responsible for design of the Toroidal Field (TF) insert coil, which will allow validation of the performance of significant lengths of the conductors to be used in the full scale TF coils in relevant conditions of field, current density and mechanical strain. The Japan Atomic Energy Agency (JAEA) will build the TF insert which will be tested at the Central Solenoid Model Coil (CSMC) Test facility at JAEA, Naka, Japan. Three dimensional mathematical model of TF Insert was created based on the initial design geometry data, and included the following features: orthotropic material properties of superconductor material and insulation; external magnetic field from CSMC, temperature dependent properties of the materials; pre-compression and plastic deformation in lap joint. Major geometrical characteristics of the design were preserved including cable jacket and insulation shape, mandrel outline, and support clamps and spacers. The model is capable of performing coupled structural, thermal, and electromagnetic analysis using ANSYS. Numerical simulations were performed for room temperature conditions; cool down to 4K, and the operating regime with 68kA current at 11.8 Tesla background field. Numerical simulations led to the final design of the coil producing the required strain levels on the cable, while simultaneously satisfying the ITER magnet structural design criteria.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Applied-field magnetic structure and spectroscopy shifts of the effective spin-$\frac{1}{2}$ 𝑋⁢𝑌-like magnet Li 2 ⁢CoCl 4

Insulators containing chains of magnetic transition metal cations provide platforms for probing spin-$\frac{1}{2}$ dynamics and quantum critical behavior. Li 2 ⁢ CoCl 4 contains edge-sharing CoCl 6 octahedra that form chains along the crystallographic 𝑐 axis and orders antiferromagnetically at zero field, but questions remain about its applied-field magnetic structure and the Co 2+ spin state. Here, in this study, we show with neutron diffraction on a polycrystalline sample how the antialigned chains of cobalt moments begin to transition to a ferromagnetic state above 1.6 T. Further, using magnetic resonance absorption measurements and noninteracting spin models, we reveal the strongly anisotropic nature of the Co 2+ ion's 𝑋⁢𝑌-like magnetic behavior (𝑔 ∥ = 2.77 and 𝑔 ⊥ = 5.23) and its 𝐽 = $\frac{1}{2}$ ground state. We therefore supply the magnetic structures and anisotropic description needed to explore the dynamics of the field-driven magnetic phases, laying the foundation for further experimental and theoretical studies.

Riedel, Zachary W. [Univ. of Illinois at Urbana-Ch↗
DOE OSTI2018

Observation of a topological insulator Dirac cone reshaped by non-magnetic impurity resonance

The massless Dirac electrons found at topological insulator surfaces are thought to be influenced very little by weak, non-magnetic disorder. However, a resonance effect of strongly perturbing non-magnetic impurities has been theoretically predicted to change the dispersion and physical nature of low-energy quasiparticles, resulting in unique particle-like states that lack microscopic translational symmetry. Here we report the direct observation of impurities reshaping the surface Dirac cone of the model three-dimensional topological insulator bismuth selenide. A pronounced kink-like dispersion feature is observed in disorder-enriched samples, and found to be closely associated with the anomaly caused by impurity resonance in the surface state density of states, as observed by dichroic angle-resolved photoemission spectroscopy. The experimental observation of these features, which closely resemble theoretical predictions, has significant implications for the properties of topological Dirac cones in applied scenarios that commonly feature point-defect disorder at surfaces or interfaces. Topological insulators - influence of surface impurities: The electronic properties of topological insulators are robust against perturbations, including the presence of non-magnetic impurities. However, surface impurities can give rise to resonant states near the Dirac point, and if their density becomes sufficiently high it is predicted that they can substantially modify the dispersion of the Dirac cone and develop a collective behaviour that results in the formation of particle-like states that lack microscopic translational symmetry. L. Andrew Wray at Purdue University and at the New York University Shanghai, and colleagues, used angle-resolved photoemission spectroscopy to experimentally observe the reshaping of the surface Dirac cone in a defect-rich sample of the topological insulator Bi 2 Se 3 . These results indicate that surface impurities can provide a useful handle to control the properties of topological insulators.

36 MATERIALS SCIENCE↗