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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Geometric and Magnetic Structures of K 2 ReI 6 as an Antiferromagnetic Insulator with Ferromagnetic Spin-Canting Originated from Spin–Orbit Coupling

We present the results of a crystallographic analysis, magnetic characterization including neutron powder diffraction, and theoretical assessment of K 2 ReI 6 prepared using solvent reactions. K 2 ReI 6 crystallizes in the space group P 2 1 / n with an inversion center. Magnetic measurements of K 2 ReI 6 sample indicate dominant antiferromagnetic coupling with a Curie–Weiss temperature of θ W = –63.3(1) K, effective magnetic moment ~2.64 μ B /Re but show a weak ferromagnetism ordered at ~24 K. Neutron powder diffraction indicates long-range order of the Re spins below 24 K, with an ordered magnetic moment of 2.2(1) μ B /Re at 1.5 K. Therefore, a canted antiferromagnetic structure is concluded. The electronic structures using first-principles calculations suggest that the antiferromagnetic model of K 2 ReI 6 yields the lowest total energy and opens a band gap with ~1.0 eV width, which is consistent with the UV–vis–NIR optical measurements. After including the spin–orbit coupling (SOC) into the calculation, the band degeneracies slightly shift without influencing the band gap. Furthermore, the results imply that K 2 ReI 6 is an antiferromagnetic insulator with weak ferromagnetic spin-canting resulting from strong SOC-entangled ground state S = 3/2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Role of magnetic and structural symmetry breaking in forming the Mott insulating gap in Nb 3 ⁢Cl 8

The α-phase of the gapped insulator Nb 3 Cl 8 has recently emerged as the long-sought critical testing bed for examining the importance of strong interelectronic correlation vs symmetry breaking in understanding insulation of such Mott compounds. Structural symmetry breaking detected by density functional theory (DFT) energy lowering (such as dimer formation, disproportionation, or Jahn-Teller distortions) explains insulation in both d-electron Mott-like systems and in non-d-electron cases without recourse to strong correlation. Yet, in Nb 3 Cl 8 , structural symmetry breaking alone (viz. formation of Nb trimers) fails to explain insulation, leading instead to a partially occupied metallic flat band, in contrast with experimental observations. We examine the role of magnetic symmetry breaking, noting that Nb 3 Cl 8 is an observed paramagnet (not an antiferromagnet), thus potentially carrying also short-range ordered magnetic moments. Describing the latter as a polymorphous distribution of nonzero local moments with total zero net magnetization is demonstrated to lower the DFT total energy, while gapping the system without recourse to strong correlation or long-range magnetic order. This suggests that degeneracy removal by symmetry breaking in mean-field-like approaches—either structural, or magnetic, or both—can reduce or eliminate the need for strong correlation, allowing the use of DFT for such Mott systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Structural, magnetic, and electronic properties of GdTiO{sub 3} Mott insulator thin films grown by pulsed laser deposition

We report on the optimization process to synthesize epitaxial thin films of GdTiO{sub 3} on SrLaGaO{sub 4} substrates by pulsed laser deposition. Optimized films are free of impurity phases and are fully strained. They possess a magnetic Curie temperature T{sub C} = 31.8 K with a saturation magnetization of 4.2 μ{sub B} per formula unit at 10 K. Transport measurements reveal an insulating response, as expected. Optical spectroscopy indicates a band gap of ∼0.7 eV, comparable to the bulk value. Our work adds ferrimagnetic orthotitanates to the palette of perovskite materials for the design of emergent strongly correlated states at oxide interfaces using a versatile growth technique such as pulsed laser deposition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Intrinsic Thermal Hall Effect in Mott Insulators

Here, in light of recent experimental data indicating a substantial thermal Hall effect in square lattice antiferromagnetic Mott insulators, we investigate whether a simple Mott insulator can sustain a finite thermal Hall effect. We verify that the answer is “no” if one performs calculations within a spin-only low-energy effective spin model with noninteracting magnons. However, by performing determinant quantum Monte Carlo simulations, we show the single-band 𝑡−𝑡′−𝑈 Hubbard model coupled to an orbital magnetic field does support a finite thermal Hall effect when 𝑡′ ≠0 and 𝐵 ≠0 in the Mott insulating phase. We argue that the (carrier agnostic) necessary conditions for observing a finite thermal Hall effect are time-reversal and particle-hole symmetry breaking. By considering magnon-magnon scattering using a semiclassical Boltzmann analysis, we illustrate a physical mechanism by which finite transverse thermal conductivity may arise, consistent with our symmetry argument and numerical results. Our results indicate that square and triangular lattices with SU(2) symmetry can support a finite thermal Hall effect and call for a critical reexamination of thermal Hall effect data in insulating magnets, as the magnon contribution should not be excluded a priori .

Mott insulators↗
DOE OSTI2019

Magnetizing topological surface states of Bi 2 Se 3 with a CrI 3 monolayer

To magnetize surfaces of topological insulators without damaging their topological feature is a crucial step for the realization of the quantum anomalous Hall effect (QAHE) and remains as a challenging task. Through density functional calculations, we found that adsorption of a semiconducting two-dimensional van der Waals (2D-vdW) ferromagnetic CrI 3 monolayer can create a sizable spin splitting at the Dirac point of the topological surface states of Bi 2 Se 3 films. Furthermore, general rules that connect different quantum and topological parameters are established through model analyses. This work provides a useful guideline for the realization of QAHE at high temperatures in heterostructures of 2D-vdW magnetic monolayers and topological insulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Evolution of the Magnetic Excitations in NaOsO 3 through its Metal-Insulator Transition

The temperature dependence of the excitation spectrum in NaOsO 3 through its metal-to-insulator transition (MIT) at 410 K has been investigated using resonant inelastic x-ray scattering at the Os L 3 edge. High-resolution (ΔE~56 meV) measurements show that the well-defined, low-energy magnons in the insulating state weaken and dampen upon approaching the metallic state. Concomitantly, a broad continuum of excitations develops which is well described by the magnetic fluctuations of a nearly antiferromagnetic Fermi liquid. By revealing the continuous evolution of the magnetic quasiparticle spectrum as it changes its character from itinerant to localized, our results provide unprecedented insight into the nature of the MIT in NaOsO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2017

On the peculiarities of galvanomagnetic effects in high magnetic fields in twisting bicrystals of the 3D topological insulator Bi{sub 1–x}Sb{sub x} (0.07 ≤ x ≤ 0.2)

Galvanomagnetic effects in twisting bicrystals of Bi{sub 1–x}Sb{sub x} alloys (0.07 ≤ x ≤ 0.2) at low temperatures and in magnetic fields up to 40 T are studied. It is found that, at small crystallite misorientation angles, the semiconductor–semimetal transition is induced in the central layer (~60-nm-thick) and two adjacent layers (each ~20-nm-thick) of the interface at different values of ultraquantum magnetic field. Bicrystals with large misorientation angles, being located in strong magnetic fields, exhibit quantum oscillations of the magnetoresistance and the Hall effect, thus indicating that the density of states is higher and charge carriers are heavier in the adjacent layers of the interfaces than in the crystallites. Our results show also that twisting bicrystals contain regions with different densities of quantum electronic states, which are determined by the crystallite misorientation angle and magnetic-field strength.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nonlinear Quantum Electrodynamics in Dirac Materials

Classical electromagnetism is linear. However, fields can polarize the vacuum Dirac sea, causing quantum nonlinear electromagnetic phenomena, e.g., scattering and splitting of photons, that occur only in very strong fields found in neutron stars or heavy ion colliders. We show that strong nonlinearity arises in Dirac materials at much lower fields ~1 T, allowing us to explore the nonperturbative, extremely high field limit of quantum electrodynamics in solids. We explain recent experiments in a unified framework and predict a new class of nonlinear magnetoelectric effects, including a magnetic enhancement of dielectric constant of insulators and a strong electric modulation of magnetization. We propose experiments and discuss the applications in novel materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Study of Gd-doped Bi{sub 2}Te{sub 3} thin films: Molecular beam epitaxy growth and magnetic properties

Incorporation of magnetic dopants into topological insulators to break time-reversal symmetry is a prerequisite for observing the quantum anomalous Hall (QAHE) effect and other novel magnetoelectric phenomena. GdBiTe{sub 3} with a Gd:Bi ratio of 1:1 is a proposed QAHE system, however, the reported solubility limit for Gd doping into Bi{sub 2}Te{sub 3} bulk crystals is between ∼0.01 and 0.05. We present a magnetic study of molecular beam epitaxy grown (Gd{sub x}Bi{sub 1–x}){sub 2}Te{sub 3} thin films with a high Gd concentration, up to x ≈ 0.3. Magnetometry reveals that the films are paramagnetic down to 1.5 K. X-ray magnetic circular dichroism at the Gd M{sub 4,5} edge at 1.5 K reveals a saturation field of ∼6 T, and a slow decay of the magnetic moment with temperature up to 200 K. The Gd{sup 3+} ions, which are substitutional on Bi sites in the Bi{sub 2}Te{sub 3} lattice, exhibit a large atomic moment of ∼7 μ{sub B}, as determined by bulk-sensitive superconducting quantum interference device magnetometry. Surface oxidation and the formation of Gd{sub 2}O{sub 3} lead to a reduced moment of ∼4 μ{sub B} as determined by surface-sensitive x-ray magnetic circular dichroism. Their large atomic moment makes these films suitable for incorporation into heterostructures, where interface polarization effects can lead to the formation of magnetic order within the topological insulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Insulator‐to‐Metal Transition and Isotropic Gigantic Magnetoresistance in Layered Magnetic Semiconductors

Magnetotransport, the response of electrical conduction to external magnetic field, acts as an important tool to reveal fundamental concepts behind exotic phenomena and plays a key role in enabling spintronic applications. Magnetotransport is generally sensitive to magnetic field orientations. In contrast, efficient and isotropic modulation of electronic transport, which is useful in technology applications such as omnidirectional sensing, is rarely seen, especially for pristine crystals. Here a strategy is proposed to realize extremely strong modulation of electron conduction by magnetic field which is independent of field direction. GdPS, a layered antiferromagnetic semiconductor with resistivity anisotropies, supports a field-driven insulator-to-metal transition with a paradoxically isotropic gigantic negative magnetoresistance insensitive to magnetic field orientations. This isotropic magnetoresistance originates from the combined effects of a near-zero spin–orbit coupling of Gd 3+ -based half-filling ƒ-electron system and the strong on-site f – d exchange coupling in Gd atoms. These results not only provide a novel material system with extraordinary magnetotransport that offers a missing block for antiferromagnet-based ultrafast and efficient spintronic devices, but also demonstrate the key ingredients for designing magnetic materials with desired transport properties for advanced functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Magnetism and local symmetry breaking in a Mott insulator with strong spin orbit interactions

Study of the combined effects of strong electronic correlations with spin-orbit coupling (SOC) represents a central issue in quantum materials research. Predicting emergent properties represents a huge theoretical problem since the presence of SOC implies that the spin is not a good quantum number. Existing theories propose the emergence of a multitude of exotic quantum phases, distinguishable by either local point symmetry breaking or local spin expectation values, even in materials with simple cubic crystal structure such as Ba 2 NaOsO 6 . Experimental tests of these theories by local probes are highly sought for. Our local measurements designed to concurrently probe spin and orbital/lattice degrees of freedom of Ba 2 NaOsO 6 provide such tests. As a result, we show that a canted ferromagnetic phase which is preceded by local point symmetry breaking is stabilized at low temperatures, as predicted by quantum theories involving multipolar spin interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Possible Quantum Paramagnetism in Compressed Sr 2 IrO 4

The result of compression on the magnetic ground state of Sr 2 IrO 4 is studied with x-ray resonant techniques in the diamond anvil cell. The weak interlayer exchange coupling between square-planar 2D IrO 2 layers is easily modified upon compression, with a crossover between magnetic structures around 7 GPa mimicking the effect of an applied magnetic field at ambient pressure. Higher pressures drive an order-disorder magnetic phase transition with no magnetic order detected above 17–20 GPa. The persistence of strong exchange interactions between J eff = 1 / 2 magnetic moments within the insulating IrO 2 layers up to at least 35 GPa points to a highly frustrated magnetic state in compressed Sr 2 IrO 4 , opening the door for realization of novel quantum paramagnetic phases driven by extended 5 d orbitals with entangled spin and orbital degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Magnetic and defect probes of the SmB 6 surface state

The impact of nonmagnetic and magnetic impurities on topological insulators is a central focus concerning their fundamental physics and possible spintronics and quantum computing applications. Combining scanning tunneling spectroscopy with transport measurements, we investigate, both locally and globally, the effect of nonmagnetic and magnetic substituents in SmB 6 , a predicted topological Kondo insulator. Around the so-introduced substitutents and in accord with theoretical predictions, the surface states are locally suppressed with different length scales depending on the substituent’s magnetic properties. For sufficiently high substituent concentrations, these states are globally destroyed. Similarly, using a magnetic tip in tunneling spectroscopy also resulted in largely suppressed surface states. Hence, a destruction of the surface states is always observed close to atoms with substantial magnetic moment. This points to the topological nature of the surface states in SmB 6 and illustrates how magnetic impurities destroy the surface states from microscopic to macroscopic length scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Low-energy magnon dynamics and magneto-optics of the skyrmionic Mott insulator Cu 2 OSeO 3

In this study, we present a comprehensive study of the low-energy optical magnetic response of the skyrmionic Mott insulator Cu 2 OSeO 3 via high resolution time-domain THz spectroscopy. In zero field, a new magnetic excitation ( f 0 = 2.03 THz ) which has not been predicted by spin-wave theory is observed and shown, with accompanying time-of-flight neutron scattering experiments, to be a zone folded magnon from the R to Γ points of the Brillouin zone. Highly sensitive polarimetry experiments performed in weak magnetic fields, μ 0 H < 200 mT , observe Faraday and Kerr rotations which are proportional to the sample magnetization, allowing for optical detection of the skyrmion phase and construction of a magnetic phase diagram. From these measurements, we extract a critical exponent of β = 0.35 ± 0.04 , in good agreement with the expected value for the 3D Heisenberg universality class of β = 0.367 . In large magnetic fields, μ 0 H > 5 T , we observe the magnetically active uniform mode of the ferrimagnetic field polarized phase whose dynamics as a function of field and temperature are studied. In addition to extracting a g eff = 2.08 ± 0.03 , we observe the uniform mode to decay through a non-Gilbert damping mechanism and to possess a finite spontaneous decay rate, Γ 0 ≈ 25 GHz , in the zero temperature limit. Finally, our observations are attributed to Dzyaloshinkii-Moriya interactions, which have been proposed to be exceptionally strong in Cu 2 OSeO 3 and are expected to impact the low-energy magnetic response of such chiral magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electrically induced insulator to metal transition in epitaxial SmNiO{sub 3} thin films

We report on the electrically induced insulator to metal transition (IMT) in SmNiO{sub 3} thin films grown on (001) LaAlO{sub 3} by pulsed laser deposition. The behavior of the resistivity as a function of temperature suggests that the primary transport mechanism in the SmNiO{sub 3} insulating state is dominated by Efros-Shklovskii variable range hopping (ES-VRH). Additionally, the magnetic transition in the insulating state of SmNiO{sub 3} modifies the characteristics of the ES-VRH transport. Systematic DC and pulsed current-voltage measurements indicate that current-induced joule heating is the fundamental mechanism driving the electrically induced IMT in SmNiO{sub 3}. These transport properties are explained in context of the IMT in SmNiO{sub 3} being related to the strong electron-lattice coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗