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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Magnon-Magnon Interaction Induced by Dynamic Coupling in a Hybrid Magnonic Crystal

We report a combined experimental and numerical investigation of spin-wave dynamics in a hybrid magnonic crystal consisting of a CoFeB artificial spin ice (ASI) of stadium-shaped nanoelements patterned atop a continuous NiFe film separated by a 5 nm Al 2 O 3 spacer. Using Brillouin light scattering spectroscopy, we probe the frequency dependence of thermal spin waves as functions of applied magnetic field and wavevector, revealing the decisive role of interlayer dipolar coupling in the magnetization dynamics. Micromagnetic simulations complement the experiments, showing a strong interplay between ASI edge modes and backward volume modes in the NiFe film. The contrast in saturation magnetization between CoFeB and NiFe enhances this coupling, leading to a pronounced hybridization manifested as a triplet of peaks in the BLS spectra predicted by simulations and observed experimentally. This magnon−magnon coupling persists over a wide magnetic field range, shaping both the spin-wave dispersion at fixed fields and the full frequency-field response throughout the magnetic hysteresis loop. Our findings establish how ASI geometry can selectively enhance specific spin-wave wavelengths in the underlying film, thereby boosting their amplitude and identifying them as preferential channels for spin wave transmission and manipulation.

Brillouin light scattering spectroscopy↗
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 OSTI2023

Evaluation of Tungsten—Steel Solid-State Bonding: Options and the Role of CALPHAD to Screen Diffusion Bonding Interlayers

Critical aspects of innovative design in engineering disciplines like infrastructure, transportation, and medical applications require the joining of dissimilar materials. This study investigates the literature on solid-state bonding techniques, with a particular focus on diffusion bonding, as an effective method for establishing engineering bonds. Welding and brazing, while widely used, may pose challenges when joining materials with large differences in melting temperature and can lead to mechanical property degradation. In contrast, diffusion bonding offers a lower temperature process that relies on solid-state interactions to develop bond strength. The joining of tungsten and steel, especially for fusion reactors, presents a unique challenge due to the significant disparity in melting temperatures and the propensity to form brittle intermetallics. Here, diffusion characteristics of tungsten–steel interfaces are examined and the influence of bonding parameters on mechanical properties are investigated. Additionally, CALPHAD modeling is employed to explore joining parameters, thermal stability, and diffusion kinetics. The insights from this research can be extended to join numerous dissimilar materials for specific applications such as aerospace, automobile industry, power plants, etc., enabling advanced and robust design with high efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Substrate-Directed Underlayer Growth of Bilayer MoS 2 Revealed by Mo Isotope Labeling

Direct control over the vertical formation sequence and stacking registry in van der Waals (vdW) bilayers is essential for device performance and moiré engineering yet difficult to resolve unambiguously with conventional probes. Here, we use Mo isotope labeling in a two-step chemical vapor deposition process to synthesize bilayer MoS 2 and trace its vertical formation on common substrates. By combining site-selective laser thinning, Raman spectroscopy, time-of-flight secondary ion mass spectrometry, and atomic-resolution scanning transimission electron microscopy (STEM), we find a clear substrate dependence: on SiO 2 /Si, the second layer nucleates and grows beneath the first (underlayer), whereas on sapphire, it forms on top (overlayer). Density functional theory indicates that a larger equilibrium interfacial separation and weaker MoS 2 –substrate interactions on amorphous SiO 2 permit confined interfacial diffusion and underlayer nucleation, whereas stronger interactions and smaller separations on sapphire favor overlayer growth. On SiO 2 , confined epitaxy templates commensurate 2H, 3R, and mixed bilayers, as confirmed by second harmonic generation spectroscopy and STEM. During underlayer coalescence, embedded mirror-twin grain boundaries stitch atomically sharp 2H|3R junctions via alternating 4|8 ring motifs. Molecular-dynamics simulations reveal that these alternating 4|8 motifs accommodate interlayer vdW coupling and locally modulate the stacking registry. These results provide mechanistic insight into confined epitaxial growth and establish isotope labeling as a powerful probe of two-dimensional materials synthesis.

MoS2↗
DOE OSTI2022

Spontaneous Asymmetry of Chiral Magnetic Domains Within a Magnetic Field

Abstract Chiral magnetic domains are topological spin textures in which the Dzyaloshinskii–Moriya interaction assigns a given chirality to the domain walls. Notably, despite rapid progress in chiral magnetic research, one fundamental issue that remains unclear is how the chirality of chiral magnetic domains change as a magnetic field deforms the spin texture. Using spin‐polarized low energy electron microscopy, the evolution of Fe/Ni chiral magnetic stripe domains are investigated in single‐crystalline Fe/Ni/Cu/Co/Cu(001) multilayers in which the interlayer magnetic coupling between the Co and Fe/Ni films serves as an in‐plane magnetic field. Contrary to theoretical works, it is found that the chirality of the Néel walls results in a parallel alignment of the magnetic stripes with the in‐plane magnetic field direction. The transformation of chiral Néel walls into achiral Bloch walls can be precisely controlled by tuning the Cu spacer layer thickness. In addition, the domain wall exhibits a spontaneous asymmetry within the in‐plane magnetic field, leading to an unbalanced chirality between the left‐handed and right‐handed Bloch walls. These new results foster a better understanding of the chiral domain properties within a magnetic field.

Li, Qian↗
DOE OSTI2020

Density functionals combined with van der Waals corrections for graphene adsorbed on layered materials

Standard density functionals like Perdew-Burke-Ernzerhof (PBE) or Strongly Constrained and Appropriately Normed (SCAN) need a correction to account for long-range van der Waals (vdW) interaction. The damped Zaremba-Kohn model (dZK) starts from a formula for the vdW interaction of a distant atom with a solid surface, both with known dielectric properties, damps this formula at short range, and then treats an adsorbed molecule or atomic layer as a collection of renormalized atoms. Here, we extend this model to graphene adsorbed on semiconducting layered materials [bulk graphite and hBN, and multilayer transition metal dichalcogenides (TMD)] by including the C 4 asymptotic term and multiple electrostatic image effects due to the two surfaces of the substrate slabs in the vdW calculations. The resulting SCAN-vdW-dZK and PBE-vdW-dZK give approximately the same results for the systems considered here, in agreement with available reference values. The predicted binding energies are roughly 25% lower than those from SCAN+rVV10 (revised Vydrov and Van Voorhis 2010), and ~15% lower than those from PBE+rVV10. Since SCAN+rVV10 usually overbinds, the predicted binding energies by SCAN-vdW-dZK and PBE-vdW-dZK are expected to be closer to the true values. The predicted equilibrium binding distances from SCAN-vdW-dZK and PBE-vdW-dZK are slightly larger (~ 0.1 Å) than those from SCAN+rVV10, and close to those from SCAN. The binding energy depends upon the number of substrate layers more strongly in vdW-dZK than in rVV10. The C 4 -term contributions can be 40% of the total vdW interactions, and the C 5 term contributes about 10%. The effects of images and the back surfaces of slabs can contribute about 4–10%. The vdW interaction energy power laws from the vdW-dZK model for graphene adsorbed on multilayer MoS 2 show slowly varying decay to the pairwise exponent –4 with increasing separation $\textit{D}$, very similar to those obtained from the random-phase approximation and renormalization group approaches by Ambrosetti et al. Both the PBE-vdW-dZK and SCAN-vdW-dZK give a greater increase in interlayer binding energy when the TMD substrate changes from monolayer to four-layer for the graphene/TMD adsorption systems. This is consistent with the relevant electron-energy-loss spectroscopy experimental results showing increased dielectric response from the substrate with increasing substrate layer number.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Optical absorption of interlayer excitons in transition-metal dichalcogenide heterostructures

Interlayer excitons, electron-hole pairs bound across two monolayer van der Waals semiconductors, offer promising electrical tunability and localizability. Because such excitons display weak electron-hole overlap, most studies have examined only the lowest-energy excitons through photoluminescence. Here, we directly measured the dielectric response of interlayer excitons, which we accessed using their static electric dipole moment. We thereby determined an intrinsic radiative lifetime of 0.40 nanoseconds for the lowest direct-gap interlayer exciton in a tungsten diselenide/molybdenum diselenide heterostructure. We found that differences in electric field and twist angle induced trends in exciton transition strengths and energies, which could be related to wave function overlap, moiré confinement, and atomic reconstruction. Through comparison with photoluminescence spectra, this study identifies a momentum-indirect emission mechanism. Characterization of the absorption is key for applications relying on light-matter interactions.

42 ENGINEERING↗
DOE OSTI2021

Exfoliation of surfactant swollen layered MWW zeolites into two-dimensional zeolite nanosheets using telechelic liquid polybutadiene

We report two-dimensional (2D) zeolites have the potential to enhance mass transport by reducing diffusion lengths and thus find applications in catalysis and separation. High aspect ratio 2D zeolite nanosheets are required for fabrication of thin, high-flux zeolite membranes. Preparation of 2D zeolite nanosheets can be achieved by exfoliation of layered zeolite precursors, which usually requires multiple steps including swelling with cationic surfactants, exfoliation by applying a mechanical force such as shearing or sonication, purification and removal of the surfactants. The exfoliation of surfactant swollen layered zeolite precursors has been studied using molten polystyrene and telechelic liquid polybutadiene, but still requires extensive shearing force. Recently, a novel one-step exfoliation method has been developed for nonswollen MWW zeolite precursors using tetrabutylammonium hydroxide (TBAOH) solution. In this work, we study the exfoliation of surfactant swollen MWW layered precursors (with and without aluminum) in commercially available liquid hydroxyl-terminated polybutadiene (HTPB) with the aim to provide fundamental understanding of the interaction between the liquid polybutadiene and the surfactant swollen layered zeolite precursors. It was found that surfactant swollen ITQ-1, (ITQ-1(S)), a pure silica layered precursor with MWW framework after being swollen with a cationic surfactant, can be exfoliated in liquid HTPB at room temperature without applying any additional shearing force. The aluminum containing surfactant swollen MWW precursors can be also exfoliated in HTPB at room temperature, but require additional shearing forces. The exfoliation process was monitored using rheology experiments and studied by tuning the composition of the zeolite precursors. The interaction between the layered zeolite precursor and the hydroxyl group of the liquid polybutadiene allows the polymer to intercalate the precursor and exfoliate it into nanosheets. The presence of framework aluminum and the nature of the organic structure directing agents (OSDAs) are key parameters affecting the exfoliation process. Framework Al is unfavorable for the exfoliation possibly due to the surface charges introduced by the aluminum. Bulky OSDA, trimethyladamantammonium (TMAda + ), in the interlayer spacing may facilitate the exfoliation.

2D nanosheets↗
DOE OSTI2021

Visualizing electron localization of WS 2 /WSe 2 moiré superlattices in momentum space

The search for materials with flat electronic bands continues due to their potential to drive strong correlation and symmetry breaking orders. Electronic moirés formed in van der Waals heterostructures have proved to be an ideal platform. However, there is no holistic experimental picture for how superlattices modify electronic structure. By combining spatially resolved angle-resolved photoemission spectroscopy with optical spectroscopy, we report the first direct evidence of how strongly correlated phases evolve from a weakly interacting regime in a transition metal dichalcogenide superlattice. By comparing short and long wave vector moirés, we find that the electronic structure evolves into a highly localized regime with increasingly flat bands and renormalized effective mass. The flattening is accompanied by the opening of a large gap in the spectral function and splitting of the exciton peaks. These results advance our understanding of emerging phases in moiré superlattices and point to the importance of interlayer physics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The structural modification and magnetism of many-layer epitaxial graphene implanted with low-energy light ions

Modifying the properties of graphene has gained wide interest for a plethora of potential applications, including spintronics. One approach has demonstrated that proton irradiation can induce ferromagnetism in graphene as well as in graphite. However, little is known about how the protons interact with graphene, the mechanism that creates the ferromagnetism, or whether the protons remain in the graphene. Here we report an investigation, broadly relevant to graphitic carbon, using low-energy (360–2000 eV) ions of hydrogen, deuterium, and helium implanted into multilayer epitaxial graphene. Complementary x-ray and neutron reflectivity demonstrate that essentially all of the implanted hydrogen remains chemisorbed in graphene. In situ x-ray diffraction reveals significantly different rates of interlayer expansion of the multilayer graphene. Analysis of these data demonstrates that the interlayer expansion arises entirely from the interstitials created by the ions and not from hydrogen that remains in the graphene. The results also establish a quantitative measure of the layer expansion due to carbon interstitials. Magnetometry and x-ray diffraction studies show that the magnetic moment relates to the amount of interstitial carbon rather than the amount of hydrogen, demonstrating that the induced room-temperature ferromagnetism arises directly from the disrupted bonding of the carbon lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Long-Term Structural and Chemical Stability of Carbon Electrodes in Vanadium Redox Flow Battery

Predicting the performance decay in carbon electrodes is critical to maximizing the longevity of redox flow battery (RFB) systems. This study investigates the effect of long-term cycling (over 8000 cycles) on the structural and chemical evolution of carbon electrodes. We find that the microstructural aspects such as graphitic stacking order and interlayer spacing along with overall morphological construct remains largely unchanged even after the prolonged cycling process. Conversely, significant changes in surface chemistry such as evolution of functional groups and point defects are evident from our combined multimodal spectroscopic and computational analysis. The XPS and FTIR analysis reveals chemical absorption of chloride counter anions at point defects within graphitic surface. Additionally, our results suggest that vanadium cation plays an important role in counter anion-carbon surface interaction and subsequently the surface chemistry evolutions. Our findings provide insights about surface chemical evolution that is critical for predicting electrode performance and longevity of RFB.

Modachur Sivakumar, Bhuvaneswari↗
DOE OSTI2021

Spin-textured Chern bands in AB-stacked transition metal dichalcogenide bilayers

Significance The long-wavelength moiré superlattices in twisted two-dimensional (2D) structures have emerged as a highly tunable platform for strongly correlated electron physics. In this work, we reveal the displacement field–induced topological moiré bands in AB-stacked transition-metal dichalcogenide (TMD) heterobilayer M o T e 2 / W S e 2 . Valley-contrasting Chern bands with nontrivial spin texture are formed from interlayer hybridization between M o T e 2 and W S e 2 bands of nominally opposite spins. The general mechanism for band inversion we uncovered in AB-stacked TMD bilayers is quite robust and can be applied to other material combinations as well. Our study establishes a recipe for creating topological bands in AB-stacked TMD bilayers in general, which provides a highly tunable platform for realizing quantum-spin Hall and interaction-induced quantum anomalous Hall effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Spin waves and high-frequency response in layered superconductors with helical magnetic structure

Here, we evaluate the spin-wave spectrum and dynamic susceptibility in a layered superconductor with helical interlayer magnetic structure. We especially focus on the structure in which the moments rotate 90 degrees from layer to layer realized in the iron pnictide RbEuFe 4 As 4 . While in nonmagnetic superconductors low-frequency magnetic field decays on the distance of the order of the London penetration depth, spin waves mediate its propagation to much larger distances limited by external dissipation mechanisms. The spin-wave spectrum in superconductors is strongly renormalized due to the long-range electromagnetic interactions between the oscillating magnetic moments. This leads to strong enhancement of the frequency of the mode coupled with uniform field and this enhancement exists only within a narrow range of the c-axis wave vectors of the order of the inverse London penetration depth. The key feature of materials like RbEuFe 4 As 4 is that this uniform mode corresponds to the maximum frequency of the spin-wave spectrum with respect to the c-axis wave vector. As a consequence, the high-frequency surface resistance acquires a very distinct asymmetric feature spreading between the bare and renormalized frequencies. Finally, we also consider excitation of spin waves with the Josephson effect in a tunneling contact between helical-magnetic and conventional superconductors and study the interplay between the spin-wave features and geometrical cavity resonances in the current-voltage characteristics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Observation of quadrupolar and dipolar excitons in a semiconductor heterotrilayer

Van der Waals (vdW) materials have opened up many avenues for discovery through layer assembly, as epitomized by interlayer dipolar excitons that exhibit electrically tunable luminescence, lasing and exciton condensation. Extending interlayer excitons to more vdW layers, however, raises fundamental questions concerning coherence within excitons and coupling between moiré superlattices at multiple interfaces. Here, by assembling angle-aligned WSe 2 /WS 2 /WSe 2 heterotrilayers, we demonstrate the emergence of quadrupolar excitons. We confirm the exciton’s quadrupolar nature by the decrease in its energy of 12 meV from coherent hole tunnelling between the two outer layers, its tunable static dipole moment under an external electric field and the reduced exciton–exciton interactions. At high exciton density, we also see signatures of a phase of oppositely aligned dipolar excitons, consistent with a staggered dipolar phase predicted to be driven by attractive dipolar interactions. Furthermore, our demonstration paves the way for discovering emergent exciton orderings for three vdW layers and beyond

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Moiré trions in MoSe 2 /WSe 2 heterobilayers

Transition metal dichalcogenide moiré bilayers with spatially periodic potentials have emerged as a highly tunable platform for studying both electronic and excitonic phenomena. The power of these systems lies in the combination of strong Coulomb interactions with the capability of controlling the charge number in a moiré potential trap. Electronically, exotic charge orders at both integer and fractional fillings have been discovered. However, the impact of charging effects on excitons trapped in moiré potentials is poorly understood. Here, we report the observation of moiré trions and their doping-dependent photoluminescence polarization in H-stacked MoSe 2 /WSe 2 heterobilayers. We find that as moiré traps are filled with either electrons or holes, new sets of interlayer exciton photoluminescence peaks with narrow linewidths emerge about 7 meV below the energy of the neutral moiré excitons. Circularly polarized photoluminescence reveals switching from co-circular to cross-circular polarizations as moiré excitons go from being negatively charged and neutral to positively charged. Furthermore, this switching results from the competition between valley-flip and spin-flip energy relaxation pathways of photo-excited electrons during interlayer trion formation. Our results offer a starting point for engineering both bosonic and fermionic many-body effects based on moiré excitons.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electrically controlled two-dimensional electron-hole fluids

We study the electronic properties of dual-gated electron-hole bilayers in which the two layers are separated by a perfectly opaque tunnel barrier. Combining an electrostatic and thermodynamic analysis with mean-field theory estimates of interacting system chemical potentials, we explain the dependence of the electron and hole densities on the two gate voltages. Because chemical potential jumps occur for both electrons and holes at neutrality, there is a finite area in gate voltage parameter space over which electron and hole densities are equal. In that regime the electron-hole pair density depends only on the sum of the two gate voltages. As a result, we are able to explain a recent experimental study of electrically controlled bilayers by allowing for interlayer tunneling and using a nonequilibrium steady-state transport picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Spin–Phonon Coupling and Magnetic Transition in an Organic Molecule Intercalated Cr 2 Ge 2 Te 6

The manipulation of spin–phonon coupling in both formations and explorations of magnetism in two-dimensional van der Waals ferromagnetic semiconductors facilitates unprecedented prospects for spintronic devices. The interlayer engineering with spin–phonon coupling promises controllable magnetism via organic cation intercalation. Here, in this study, spectroscopic evidence reveals the intercalation effect on the intrinsic magnetic and electronic transitions in quasi-two-dimensional Cr 2 Ge 2 Te 6 using tetrabutyl ammonium (TBA + ) as the intercalant. The temperature evolution of Raman modes, E g 3 and A g 1 , along with the magnetization measurements, unambiguously captures the enhancement of the ferromagnetic Curie temperature in the intercalated heterostructure. Moreover, the E g 4 mode highlights the increased effect of spin–phonon interaction in magnetic-order-induced lattice distortion. Combined with the first-principle calculations, we observed a substantial number of electrons transferred from TBA + to Cr through the interface. The interplay between spin–phonon coupling and magnetic ordering in van der Waals magnets appeals for further understanding of the manipulation of magnetism in layered heterostructures.

2D magnet↗
DOE OSTI2021

Superconductivity in the bilayer Hubbard model: Two Fermi surfaces are better than one

Fully occupied or unoccupied bands in a solid are often considered inert and irrelevant to a material's low-energy properties. But the discovery of enhanced superconductivity in heavily electron-doped FeSe-derived superconductors poses questions about the possible role of incipient bands (those laying close to but not crossing the Fermi level) in pairing. To answer this question, researchers have studied pairing correlations in the bilayer Hubbard model, which has an incipient band for large interlayer hopping t⊥, using many-body perturbation theory and variational methods. They have generally found that superconductivity is enhanced as one of the bands approaches the Lifshitz transition and even when it becomes incipient. Here we address this question using the nonperturbative quantum Monte Carlo (QMC) dynamical cluster approximation (DCA) to study the bilayer Hubbard model's pairing correlations. We find that the model has robust s± pairing correlations in the large t⊥ limit, which can become stronger as one band is made incipient. While this behavior is linked to changes in the effective interaction, we further find that it is counteracted by a suppression of the intrinsic pair-field susceptibility and does not translate to an increased Tc. Our results demonstrate that the highest achievable transition temperatures in the bilayer Hubbard model occur when the system has two bands crossing the Fermi level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗