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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 235 records · Page 13
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 OSTI2022

Discovery of charge density wave in a kagome lattice antiferromagnet

A hallmark of strongly correlated quantum materials is the rich phase diagram resulting from competing and intertwined phases with nearly degenerate ground state energies. A well-known example is the copper oxides, where a charge density wave (CDW) is ordered well above and strongly coupled to the magnetic order to form spin-charge separated stripes that compete with superconductivity. Recently, such rich phase diagrams have also been revealed in correlated topological materials. In two-dimensional kagome lattice metals consisting of corner-sharing triangles, the geometry of the lattice can produce flat bands with localized electrons, non-trivial topology, chiral magnetic order, superconductivity and CDW order. While CDW has been found in weakly electron correlated nonmagnetic AV 3 Sb 5 (A = K, Rb, Cs), it has not yet been observed in correlated magnetic ordered kagome lattice metals. Here we report the discovery of CDW within the antiferromagnetic (AFM) ordered phase of kagome lattice FeGe. The CDW in FeGe occurs at wavevectors identical to that of AV 3 Sb 5 , enhances the AFM ordered moment, and induces an emergent anomalous Hall effect. Furthermore, our findings suggest that CDW in FeGe arises from the combination of electron correlations-driven AFM order and van Hove singularities-driven instability possibly associated with a chiral flux phase, in stark contrast to strongly correlated copper oxides and nickelates, where the CDW precedes or accompanies the magnetic order.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Observation of plaid-like spin splitting in a noncoplanar antiferromagnet

Spatial, momentum and energy separation of electronic spins in condensed matter systems guides the development of novel devices where spin-polarized current is generated and manipulated. Recent attention on a set of previously overlooked symmetry operations in magnetic materials leads to the emergence of a new type of spin splitting, enabling giant and momentum-dependent spin polarization of energy bands on selected antiferromagnets. Despite the ever-growing theoretical predictions, the direct spectroscopic proof of such spin splitting is still lacking. Here, we provide solid spectroscopic and computational evidence for the existence of such materials. In the noncoplanar antiferromagnet MnTe 2 , the in-plane components of spin are found to be antisymmetric about the high-symmetry planes of the Brillouin zone, comprising a plaid-like spin texture in the antiferromagnetic (AFM) ground state. Such an unconventional spin pattern, further found to diminish at the high- temperature paramagnetic state, stems from the intrinsic AFM order instead of spin- orbit coupling (SOC). Furthermore, our finding demonstrates a new type of quadratic spin texture induced by time-reversal breaking, placing AFM spintronics on a firm basis and paving the way for studying exotic quantum phenomena in related materials.

Electronic devices↗
DOE OSTI2020

Carbon nanotube porin diffusion in mixed composition supported lipid bilayers

Carbon nanotube porins (CNTPs), short pieces of carbon nanotubes capable of self-inserting into a lipid bilayer, represent a simplified model of biological membrane channels. We have used high-speed atomic force microscopy (HS-AFM) and all-atom molecular dynamics (MD) simulations to study the behavior of CNTPs in a mixed lipid membrane consisting of DOPC lipid with a variable percentage of DMPC lipid added to it. HS-AFM data reveal that the CNTPs undergo diffusive motion in the bilayer plane. Motion trajectories extracted from the HS-AFM movies indicate that CNTPs exhibit diffusion coefficient values broadly similar to values reported for membrane proteins in supported lipid bilayers. The data also indicate that increasing the percentage of DMPC leads to a marked slowing of CNTP diffusion. MD simulations reveal a CNTP-lipid assembly that diffuses in the membrane and show trends that are consistent with the experimental observations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Nanoscale control of LaAlO 3 /SrTiO 3 metal–insulator transition using ultra-low-voltage electron-beam lithography

In this work, we describe a method to control the insulator–metal transition at the LaAlO 3 /SrTiO 3 interface using ultra-low-voltage electron beam lithography. Compared to previous reports that utilize conductive atomic force microscope (c-AFM) lithography, this approach can provide comparable resolution (~10 nm) at write speeds (10 mm/s) that are up to 10 000× faster than c-AFM. The writing technique is nondestructive, and the conductive state is reversible via prolonged exposure to air. Transport properties of representative devices are measured at milli-Kelvin temperatures, where superconducting behavior is observed. We also demonstrate the ability to create conducting devices on graphene/LaAlO 3 /SrTiO 3 heterostructures. The underlying mechanism is believed to be closely related to the same mechanism regulating c-AFM-based methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

High resolution atomic force microscopy with an active piezoelectric microcantilever

Active microcantilevers with on-chip sensing and actuation provide significant advantages in tapping mode Atomic Force Microscopy (AFM). Collocated transduction allows for effective manipulation of cantilever dynamics through feedback control, enabling higher scan rates. However, the adjacency of the sensing and actuation electrodes is known to result in a high level of feedthrough, leading to a low imaging resolution. Readout circuit noise further deteriorates the imaging precision. Here, we investigate the noise sources that affect AFM microcantilevers with collocated aluminum nitride (AlN) actuator–sensor pairs. We reported these cantilevers in earlier work and demonstrated that they display a very low level of feedthrough between the actuation and sensing electrodes. We present a high signal-to-noise ratio (SNR) sensing method that enables us to demonstrate high-resolution AFM on a calibration grating with nm-step silicon carbide (SiC) terraces. In conclusion, measuring the Lorentzian response of the cantilever’s Brownian motion with the on-chip active sensor at resonance enables us to calibrate the dynamic stiffness at the first fundamental resonance mode, without utilizing an optical sensor.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Interplay of ferromagnetic and antiferromagnetic interactions in epitaxial Co 3 ZnN

Antiperovskite nitrides with the general formula M 3 AN have attracted significant attention due to their tunable electronic and magnetic properties. Among them are many cobalt-based compounds predicted to exhibit high thermodynamic stability and intriguing magnetic behavior. Here, we report the synthesis and magnetic characterization of epitaxial Co3ZnN thin films grown by radio frequency sputtering on SrTiO 3 (STO) and MgO substrates. X-ray diffraction confirms phase-pure (00l)-oriented films with cube-on-cube epitaxy on STO, with a c-lattice parameter of 3.752 Å. Magnetic measurements reveal clear hysteresis at 2 K with a coercive field of ∼0.11 T and a small net moment of 0.108 μ B /f.u., suggesting either a canted antiferromagnetic (AFM) or ferrimagnetic (FiM) configuration. Temperature-dependent magnetization measurements show a transition near 25 K, with strong AFM interactions with Curie–Weiss temperature (Θ) = −80.13 K. Complementary density functional theory and Monte Carlo simulations indicate a ferromagnetic (FM) ground state, with the FM–AFM energy difference decreasing systematically with increasing supercell size, consistent with competition between FM and AFM/FiM interactions. These results highlight Co3ZnN as a magnetically complex antiperovskite nitride with competing exchange interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Pseudogap in electron-doped cuprates: Strong correlation leading to band splitting

The pseudogap phenomena have been a long-standing mystery of the cuprate high-temperature superconductors. The pseudogap in the electron-doped cuprates has been attributed to band folding due to antiferromagnetic (AFM) long-range order or short-range correlation. We performed an angle-resolved photoemission spectroscopy study of the electron-doped cuprates Pr 1.3−x La 0.7 Ce x CuO 4 showing spin-glass, disordered AFM behaviors, and superconductivity at low temperatures and, by measurements with fine momentum cuts, found that the gap opens on the unfolded Fermi surface rather than the AFM Brillouin zone boundary. The gap did not show a node, following the full symmetry of the Brillouin zone, and its magnitude decreased from the zone-diagonal to (π,0) directions, opposite to the hole-doped case. These observations were reproduced by cluster dynamical-mean-field-theory calculation, which took into account electron correlation precisely within a (CuO 2 ) 4 cluster. In conclusion, the present experimental and theoretical results are consistent with the mechanism that electron or hole doping into a Mott insulator creates an in-gap band that is separated from the upper or lower Hubbard band by the pseudogap.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Emergent ferromagnetism and unusual irreversible magnetoresistance in an intercalated van der Waals antiferromagnet

Orthorhombic air-stable two-dimensional (2D) antiferromagnet (AFM) CrSBr has attracted much research interest lately thanks to its rich magnetic behaviors together with its remarkable electronic, excitonic, and polaritonic properties. Here, we report a reliable electrochemical intercalation method by inserting large tetrabutylammonium (TBA + ) ions into CrSBr layers. Magnetically, such intercalation efficiently suppresses the interlayer AFM and induces a ferromagnetic (FM) order with a much-enhanced transition temperature up to 200 K, nearly 70 K higher than the AFM onset of 132 K in pristine CrSBr. Electronically, the TBA + intercalation not only increases the electric conductivity of CrSBr, which is further enhanced by magnetic fields, but also introduces a giant negative irreversible magnetoresistance. This work demonstrates the tunable magnetic and electronic properties of CrSBr as well as their interplay, paving the way for advanced spintronic and magnetic memory devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Growth and characterization of homoepitaxial β-Ga 2 O 3 layers

ß-Ga 2 O 3 is a next-generation ultra-wide bandgap semiconductor (E g = 4.8 eV to 4.9 eV) that can be homoepitaxially grown on commercial substrates, enabling next-generation power electronic devices among other important applications. Analyzing the quality of deposited homoepitaxial layers used in such devices is challenging, in part due to the large probing depth in traditional x-ray diffraction (XRD) and also due to the surface-sensitive nature of atomic force microscopy (AFM). Here, a combination of evanescent grazing-incidence skew asymmetric XRD and AFM are investigated as an approach to effectively characterize the quality of homoepitaxial ß-Ga 2 O 3 layers grown by molecular beam epitaxy at a variety of Ga/O flux ratios. Accounting for both structure and morphology, optimal films are achieved at a Ga/O ratio of ~1.15, a conclusion that would not be possible to achieve by either XRD or AFM methods alone. Finally, fabricated Schottky barrier diodes with thicker homoepitaxial layers are characterized by J-V and C-V measurements, revealing an unintentional doping density of 4.3×10 16 cm -3 - 2×10 17 cm -3 in the epilayer. These results demonstrate the importance of complementary measurement methods for improving the quality of the ß-Ga 2 O 3 homoepitaxial layers used in power electronic and other devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Studies on magnetocaloric effect of Tb 2 Ni 0.90 Si 2.94 compound

A comparative study has been carried out on the magnetocaloric properties of as-cast and annealed Tb 2 Ni 0.90 Si 2.94 intermetallic compound. While the as-cast material exhibits ferromagnetic cluster-glass behaviour below 9.9 K coexisting with antiferromagnetic (AFM) interaction, the annealed system shows AFM ordering below 13.5 K and spin freezing occurs below 4 K. The compound exhibits moderate magnetocaloric performance with maximum isothermal entropy changes (–ΔS M ) 8.8 and 10.9 J kg –1 K –1 , relative cooling power (RCP) 306 and 365 J kg –1 , along with adiabatic temperature change (ΔT ad ) 5.5 and 8.15 K for 70 kOe magnetic field change in as-cast and annealed forms, respectively. The estimated magnetic entropy change is found to be larger for annealed sample in comparison to that of as-cast analogue. However, the full width at half maxima (FWHM) of –ΔS M (T) behaviour is larger in as-cast compound due to the presence of inherent structural disorder which reduces with thermal annealing. A positive isothermal entropy change (–ΔS M ) and adiabatic temperature change (ΔT ad ) is observed for the as-cast compound in the measured field and temperature region. In contrast, the annealed system exhibits inverse magnetocaloric effect in the low field and temperature region where AFM interactions dominate. Magnetocaloric effect (MCE) is used as a tool to establish a subtle correlation between the observed magnetocaloric effect and the reported magnetic properties of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Optical fingerprints of the electronic band reconstruction in van der Waals magnetic materials

We report a broadband study of the charge dynamics in the van der Waals magnetic materials 2H-M x TaS 2 (M = Mn and Co), which span the onset of both long-range antiferromagnetic (AFM) and ferromagnetic (FM) order, depending on the intercalation M and its concentration x. We discover a spectral weight (SW) shift from high to low energy scales for FM compositions, while reversely SW is removed from low towards high spectral energies for AFM compounds. This maps the related reconstruction of the electronic band structure along the crossover from the FM to AFM order, which restores an occupation balance in the density of states between spin majority and minority bands of the intercalated 3d elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Enhancement of antiferromagnetic spin fluctuations in UTe2 under pressure revealed by 125 Te NMR

Characterizing magnetic fluctuations is one of the keys to understanding the origin of superconductivity in the spin-triplet superconductor UTe 2 , which exhibits two superconducting (SC) phases (SC1 and SC2) under pressure: SC1 where the superconducting transition temperature of 𝑇c decreases with pressure, whereas 𝑇c of SC2 rises with pressure. Previously, D. Ambika et al. [Phys. Rev. B 105, L220403 (2022)] reported the possible coexistence of ferromagnetic (FM) and antiferromagnetic (AFM) spin fluctuations in UTe2 under pressure from their nuclear magnetic resonance (NMR) measurements. To delve into the relationship between the magnetic fluctuations and the two SC phases, we have carried out detailed 125 Te NMR measurements on a single crystal of UTe2 with 𝑇c=1.6K at various pressures ranging from 0 to 2.05 GPa. By comparing the temperature 𝑇 dependence of nuclear spin-lattice relaxation rates divided by temperature 1/𝑇1⁢𝑇 with that of the Knight shift 𝐾 for magnetic fields along the 𝑎, 𝑏, and 𝑐 directions, we evidence the enhancement of AFM spin fluctuations with increasing pressure. Based on the results, we suggest that FM spin fluctuations are more favorable for SC1 and AFM spin fluctuations are crucial for SC2. Our work will inspire further study on this material to understand the peculiar SC phases in detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Interacting spin and charge density waves in the kagome metal FeGe

Unveiling the interplay between spin density wave (SDW) and charge density wave (CDW) orders in correlated electron materials is important in obtaining a comprehensive understanding of their electronic, structural, and magnetic properties. Kagome lattice materials are interesting because their flat electronic bands, Dirac points, and Van Hove singularities can enable a variety of exotic electronic and magnetic phenomena. The kagome metal FeGe (the B35 phase), which exhibits a CDW order deep within an A-type antiferromagnetic (AFM) phase, was found to respond dramatically to postgrowth annealing—with the ability to tune the CDW repeatedly from long-range order to negligible order. Additionally, neutron scattering studies suggest that incommensurate magnetic peaks that onset at 𝑇 Canting = 𝑇 SDW ≈ 60 K in the system arise from a SDW order instead of the AFM double-cone structure. Here, in this study, we use inelastic neutron scattering to show that two distinct spin excitations exist below 𝑇 Canting corresponding to two coexisting magnetic orders in the system in both sets of annealed samples with and without CDW. While CDW order or negligible order can dramatically affect the onset temperature of 𝑇 Canting and elastic incommensurate magnetic scattering, its impact on low-energy spin fluctuations is more limited. In both samples, a pair of gapless incommensurate spin excitations arising from the SDW order wave vector coexist with gapped commensurate spin waves from the A-type AFM order across 𝑇 Canting . The low-energy spin excitations for both samples couple dynamically to the lattice through enhanced magnetic scattering intensity on cooling below 𝑇 CDW , regardless of the status of the static long-range CDW order. The incommensurate SDW order in the long-range CDW ordered sample also induces a tiny in-plane lattice distortion of the kagome lattice that is absent in the negligible CDW ordered sample, in a way that is different from the previously known SDW and CDW ordering materials.

charge density waves↗
DOE OSTI2020

Quasiparticle self-consistent G W band structure of CrN

The band structures of CrN are calculated using the quasiparticle self-consistent GW approach in both the low-temperature antiferromagnetic (AFM) [110] 2 Pmna orthorhombic phase and in a hypothetical ferromagnetic phase representing the paramagnetic cubic state in a saturating magnetic field. A gap of about 1 eV is found in the AFM state, while the ferromagnetic band structure is found to be half metallic. Another hypothetical AFM-1 structure [001] 1 is further considered and gives a smaller band gap. The orbital nature of the bands is studied and reveals a gap between Cr-d states, indicating a strongly correlated behavior. Here, optical dielectric functions are calculated from the interband transitions and compared to experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spin dynamics in antiferromagnetic oxypnictides and fluoropnictides: LaMnAsO, LaMnSbO, and BaMnAsF

In this study, inelastic neutron scattering (INS) from polycrystalline antiferromagnetic LaMnAsO, LaMnSbO, and BaMnAsF are analyzed using a J 1 - J 2 - J c Heisenberg model in the framework of the linear spin-wave theory. All three systems show clear evidence that the nearest- and next-nearest-neighbor interactions within the Mn square lattice layer ( J 1 and J 2 ) are both antiferromagnetic (AFM). However, for all compounds studied the competing interactions have a ratio of 2 J 2 / J 1 < 1 , which favors the square lattice checkerboard AFM structure over the stripe AFM structure. The interplane coupling J c in all three systems is on the order of ~ 3 × 10 - 4 J 1 , rendering the magnetic properties of these systems with quasi-two-dimensional character. The substitution of Sb for As significantly lowers the in-plane exchange coupling, which is also reflected in the decrease of the Néel temperature, T N . Although BaMnAsF shares the same MnAs sheets as LaMnAsO, their J 1 and J 2 values are substantially different. Lastly, using density functional theory, we calculate exchange parameters J i j to rationalize the differences among these systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magnetic, thermal, and electronic-transport properties of EuMg 2 Bi 2 single crystals

The trigonal compound EuMg 2 Bi 2 has recently been discussed in terms of its topological band properties. These are intertwined with its magnetic properties. In this paper detailed studies of the magnetic, thermal, and electronic-transport properties of EuMg 2 Bi 2 single crystals are presented. The Eu + 2 spins 7/2 in EuMg 2 Bi 2 exhibit an antiferromagnetic (AFM) transition at a temperature T N = 6.7 K, as previously reported. By analyzing the anisotropic magnetic susceptibility χ data below T N in terms of molecular-field theory (MFT), the AFM structure is inferred to be a c -axis helix, where the ordered moments in the hexagonal a b -plane layers are aligned ferromagnetically in the a b plane with a turn angle between the moments in adjacent moment planes along the c axis of ≈ 120 ° . An alternate but less likely magnetic structure is a planar structure with nearest-neighbor Eu spins aligned at ≈ 120 ° with respect to each other, where these ordered-moment layers are stacked along the c axis. The magnetic heat capacity exhibits a λ anomaly at T N with evidence of dynamic short-range magnetic fluctuations both above and below T N . The high- T limit of the magnetic entropy is close to the theoretical value for spins 7/2. The in-plane electrical resistivity ρ ( T ) data indicate metallic character with a mild and disorder-sensitive upturn below T min = 23 K. An anomalous rapid drop in ρ ( T ) on cooling below T N as found in zero field is replaced by a two-step decrease in magnetic fields. The ρ ( T ) measurements also reveal an additional transition below T N in applied fields of unknown origin that is not observed in the other measurements and may be associated with an incommensurate to commensurate AFM transition. The dependence of T N on the c -axis magnetic field H ⊥ was derived from the field-dependent χ ( T ) , C p ( T ) , and ρ ( T ) measurements. This T N ( H ⊥ ) was found to be consistent with the prediction of MFT for a c -axis helix with S = 7 / 2 and was used to generate a phase diagram in the H ⊥ – T plane.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Giant momentum-dependent spin splitting in centrosymmetric low-$\textit{Z}$ antiferromagnets

The energy vs crystal momentum $\textit{E(k)}$ diagram for a solid (band structure) constitutes the road map for navigating its optical, magnetic, and transport properties. By selecting crystals with specific atom types, composition, and symmetries, one could design a target band structure and thus desired properties. A particularly attractive outcome would be to design energy bands that are split into spin components with a momentum-dependent splitting, as envisioned by Pekar and Rashba, enabling spintronic application. The current paper provides “design principles” for wave-vector dependent spin splitting (SS) of energy bands that parallel the traditional Dresselhaus and Rashba spin-orbit coupling (SOC)–induced splitting, but originates from a fundamentally different source—antiferromagnetism. Here, we identify a few generic antiferromagnetic (AFM) prototypes with distinct SS patterns using magnetic symmetry design principles. These tools allow also the identification of specific AFM compounds with SS belonging to different prototypes. A specific compound—centrosymmetric tetragonal MnF 2 —is used via density functional band-structure calculations to quantitatively illustrate one type of AFM SS. Unlike the traditional SOC-induced effects restricted to noncentrosymmetric crystals, we show that antiferromagnetic-induced spin splitting broadens the playing field to include even centrosymmetric compounds, and gives SS comparable in magnitude to the best known (“giant’” SOC effects, even without traditional SOC, and consequently does not rely on the often-unstable high atomic number elements required for high SOC. We envision that use of the current design principles to identify an optimal antiferromagnet with spin-split energy bands would be beneficial for efficient spin-charge conversion and spin-orbit torque applications without the burden of requiring compounds containing heavy elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗