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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantum Spin Torque Driven Transmutation of an Antiferromagnetic Mott Insulator

The basic model of spin-transfer torque (STT) in antiferromagnetic spintronics considers the exchange of angular momentum between quantum spins of flowing electrons and noncollinear-to-them localized spins treated as classical vectors. These vectors are assumed to realize Néel order in equilibrium, ↑ ↓ ∙∙∙ ↑ ↓, and their STT-driven dynamics is described by the Landau-Lifshitz-Gilbert (LLG) equation. However, many experimentally employed materials (such as archetypal NiO) are strongly electron-correlated antiferromagnetic Mott insulators (AFMIs) whose localized spins form a ground state quite different from the unentangled Néel state | ↑ ↓ ∙∙∙ ↑ ↓$\rangle$. The true ground state is entangled by quantum spin fluctuations, leading to the expectation value of all localized spins being zero, so that LLG dynamics of classical vectors of fixed length rotating due to STT cannot even be initiated. Instead, a fully quantum treatment of both conduction electrons and localized spins is necessary to capture the exchange of spin angular momentum between them, denoted as quantum STT. We use a recently developed time-dependent density matrix renormalization group approach to quantum STT to predict how injection of a spin-polarized current pulse into a normal metal layer coupled to an AFMI overlayer via exchange interaction and possibly small interlayer hopping—mimicking, e.g., topological-insulator/NiO bilayer employed experimentally—will induce a nonzero expectation value of AFMI localized spins. This new nonequilibrium phase is a spatially inhomogeneous ferromagnet with a zigzag profile of localized spins. The total spin absorbed by AFMI increases with electron-electron repulsion in AFMIs, as well as when the two layers do not exchange any charge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Sub-Bandgap Luminescence from Doped Polycrystalline and Amorphous Silicon Films and Its Application to Understanding Passivating-Contact Solar Cells

We report luminescence phenomena from doped polycrystalline silicon (poly-Si) films and their applications to study carrier transport properties in passivating-contact solar cells. Low-temperature luminescence spectra emitted from doped poly-Si layers are found to be very broad and stretched from the crystalline silicon (c-Si) luminescence peak to significantly lower energies. This suggests that these layers contain radiative defect levels whose energies are continuously distributed from the band edges to deep levels in the poly-Si bandgap. Moreover, photoinduced carriers inside poly-Si layers are found to be completely blocked by an ultrathin SiOx interlayer (~1.3 nm). This demonstrates that there is no free-carrier coupling from poly-Si layers in practical passivating-contact solar cells. Finally, we demonstrate that the same principle can be applied to study carrier transport properties in hydrogenated amorphous silicon films.

14 SOLAR ENERGY↗
DOE OSTI2019

Longitudinal eigenvibration of multilayer colloidal crystals and the effect of nanoscale contact bridges

Longitudinal contact-based vibrations of colloidal crystals with a controlled layer thickness are studied. These crystals consist of 390 nm diameter polystyrene spheres arranged into close packed, ordered lattices with a thickness of one to twelve layers. Using laser ultrasonics, eigenmodes of the crystals that have out-of-plane motion are excited. The particle–substrate and effective interlayer contact stiffnesses in the colloidal crystals are extracted using a discrete, coupled oscillator model. Extracted stiffnesses are correlated with scanning electron microscope images of the contacts and atomic force microscope characterization of the substrate surface topography after removal of the spheres. Solid bridges of nanometric thickness are found to drastically alter the stiffness of the contacts, and their presence is found to be dependent on the self-assembly process. Measurements of the eigenmode quality factors suggest that energy leakage into the substrate plays a role for low frequency modes but is overcome by disorder- or material-induced losses at higher frequencies. These findings help further the understanding of the contact mechanics, and the effects of disorder in three-dimensional micro- and nano-particulate systems, and open new avenues to engineer new types of micro- and nanostructured materials with wave tailoring functionalities via control of the adhesive contact properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Fission Products Distribution in TRISO Coated Fuel Particles Irradiated to 3.22 x 1021 n/cm2 Fast Fluence at 1092°C

Mechanisms by which fission products (especially Ag) migrate across the intact coating layers of tristructural isotropic (TRISO) coated fuel particles designed for next generation nuclear reactors have been the subject of numerous studies but remain poorly understood. This paper presents results obtained from the electron microscopic examination of selected irradiated tristructural isotropic (TRISO) coated particles (CPs) taken from fuel Compact 3-1-1 irradiated in Advanced Gas Reactor (AGR) experiment AGR-1. Studying this particles are of specific interest as it was fabricated using a different carrier gas composition ratio for the SiC layer deposition compared with the baseline fuel coated particles reported previously. These fabrication parameters are expected to reduce defects in the SiC layers resulting from uranium dispersion and potentially reducing the SiC layer permeability for metallic fission products. Basic scanning electron microscopy (SEM) and SEM montage investigations of the particles indicate that the number density of fission products in the inner pyrolytic carbon (IPyC) layer is far higher than that in the SiC layer, and that the number density of fission products in the SiC layer is far lower than the corresponding value for compacts with baseline fuel. Preliminary comparative fission product distribution montages suggest that the SiC layers of particles in Compact 1-3-1 are less permeable to fission products than those in compacts with baseline fuel. Transmission electron microscopy (TEM) samples were sectioned by focused ion beam (FIB) technique from the IPyC layer, the SiC layer and the IPyC-SiC interlayer of the particle. Detailed TEM and scanning transmission electron microscopy (STEM) coupled with energy dispersive X-ray spectroscopy (EDS) or electron energy loss spectroscopy (EELS) were performed to identify fission products and characterize their distribution across the IPyC and the SiC layers. Based on the distribution of the fission products, transport mechanisms are discussed and proposed, with emphasis placed on Ag. Our study contributes to enhancing the understanding of fission product transport mechanisms in TRISO coated fuel particles with SiC layer possessing reduced concentration of processing defects.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Toward Metal–Organic Framework-Based Solar Cells: Enhancing Directional Exciton Transport by Collapsing Three-Dimensional Film Structures

Owing to their ability to act as light-harvesting scaffolds, porphyrin-containing metal-organic frameworks (MOFs) are in the forefront of research on the application of highly ordered molecular materials to problems in solar-energy conversion. In this work, solvent-assisted linker exchange (SALE) is performed on a pillared paddlewheel porphyrin containing MOF thin film to collapse a 3D framework to a 2D framework. The change in dimensionality of the framework is confirmed by a decrease in the film thickness, the magnitude of which is in agreement with crystallographic parameters for related bulk materials. Furthermore, NMR spectroscopy performed on the digested sample suggests a similar change in geometry is achieved in bulk MOF samples. The decreased distance between the porphyrin chromophores in the 2D MOF film compared to the 3D film results in enhanced energy transfer through the film. The extent of energy transport was probed by assembling MOF thin film where the outermost layers are palladium porphyrin (P2) units, which act as energy traps and fluorescence quenchers. Steady-state emission spectroscopy together with time-resolved emission spectroscopy indicates that excitons can travel through about 9-11 layers (porphyrin layers) in 2D films, whereas in 3D films energy transfer occurs through no more than about 6-8 layers. The results are difficult to understand if only changes in MOF interlayer spacing are considered but become much more understandable if dipole-dipole coupling distances are considered.

Goswami, Subhadip↗
DOE OSTI2015

A new method for achieving enhanced dielectric response over a wide temperature range

We report a novel approach for achieving high dielectric response over a wide temperature range. In this approach, multilayer ceramic heterostructures with constituent compositions having strategically tuned Curie points (TC) were designed and integrated with varying electrical connectivity. Interestingly, these multilayer structures exhibited different dielectric behavior in series and parallel configuration due to variations in electrical boundary conditions resulting in the differences in the strength of the electrostatic coupling. The results are explained using nonlinear thermodynamic model taking into account electrostatic interlayer interaction. We believe that present work will have huge significance in design of high performance ceramic capacitors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Unveiling in-gap states and Majorana zero modes in superconductor-topological insulator bilayer model

Interfaces between topological insulators and superconductors (SCs) are promising platforms for realizing Majorana zero modes (MZMs) via the superconducting proximity effect. We introduce a bilayer model consisting of the surface states of a three-dimensional topological insulator (3DTI) coupled to an 𝑠-wave superconductor and systematically study the role of interlayer tunneling strength (𝑡⊥) motivated by the recent growth of the Fe⁡(Te,Se)/Bi 2 ⁢Te 3 heterostructure. We find that increasing 𝑡⊥ shifts the proximity-induced (PrI) gap minimum away from the Γ point, giving rise to momentum-selective interference patterns that manifest as spatial oscillations in the in-gap states. We introduce an antidot with a magnetic vortex in the model and investigate the resulting in-gap states, including MZMs and Caroli–de Gennes–Matricon (CdGM) modes. With increasing hybridization strength, the energy separation between MZMs and CdGM states increases, enhancing the isolation of MZMs. Importantly, in the strong hybridization limit, the leading CdGM separation remains large in spite of the decrease in the PrI gap. Spin- and spatially resolved wavefunction analysis reveals angular momentum asymmetries absent in conventional 𝑠-wave systems. A direct comparison with a standalone 𝑠-wave superconductor confirms the emergence of distinct 𝑝-wave-like features in the bilayer geometry. Our results provide experimentally relevant predictions for tuning the stability of MZMs and their differentiation from the CdGM modes in SC-3DTI heterostructures and offer a theoretical framework for probing unconventional superconductivity in engineered topological systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Energy storage technology with extreme high energy density capability

A capacitor includes a first electrode having a substrate and a plurality of nanostructures physically and electrically coupled to the substrate. The capacitor also includes a solid, non-conductive interlayer deposited over the nanostructures to coat the nanostructures, and extending between the nanostructures, and a second electrode deposited over the interlayer and extending between the nanostructures. The interlayer insulates the first and second electrode layers from one another.

Gao, Kaizhong↗
DOE OSTI2025

Micro-tensile characteristics of As-fabricated and irradiated AGR-2 TRISO fuel particle buffer, IPyC, and buffer-IPyC interlayer regions

A recently developed micro-tensile sample preparation technique was implemented to evaluate the tensile strengths of the buffer, IPyC, and buffer-IPyC interlayer regions of the unirradiated and irradiated AGR-2 TRISO fuel particles. Understanding the mechanical properties of the buffer-IPyC interlayer is essential for developing thermomechanical models of buffer-IPyC separation, yet there is a lack of experimental data on its micro-tensile properties. TEM analysis was conducted on these regions to determine the microstructural changes relevant to the samples' tensile properties. In the unirradiated TRISO particle samples, the buffer layer demonstrated the weakest tensile strength, while the IPyC layer exhibited the highest. Conversely, in the irradiated TRISO particle samples, the buffer-IPyC interlayer region showed the lowest tensile strength, with the IPyC layer being the strongest. Fractures in the samples from the buffer-IPyC region predominantly occurred either in the buffer layer or at the buffer-IPyC interface. However, some buffer-IPyC interlayer samples displayed stress-strain and fracture behaviors more akin to the IPyC layer than the buffer layer. Analysis of diffraction patterns suggests that irradiation may have increased anisotropy in the three regions tested. Despite this suggested increase in anisotropy, there was no evidence that it affected the measured strengths. The irradiated TRISO particles demonstrated a considerable increase in void space and a decrease in ultimate tensile strength within the buffer-IPyC interlayer region due to the densification and contraction of the buffer layer. Minor variations in diffraction ring patterns were also observed. These changes, coupled with a significant reduction in the Weibull modulus/shape parameter, imply that irradiation-induced densification leads to tearing between the buffer and IPyC layers at locations of elevated porosity in the buffer-IPyC interlayer region.

Tristructural isotropic (TRISO)↗
DOE OSTI2019

Ground-State Properties for Bilayer Kitaev Model: Dimer Expansion Study

We study ground-state properties in the bilayer Kitaev model by means of the dimer expansion. The existence of parity symmetries in the system reduces the computational cost significantly. This allows us to expand the ground-state energy and interlayer spin-spin correlation up to the 30th order in the interdimer Kitaev coupling. The numerical calculations clarify that the dimer singlet state is indeed realized in the wide parameter region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Nonlinear optical conductivity of bilayer graphene with Rashba spin-orbit interaction in the terahertz regime

The effect of Rashba spin-orbit coupling on the nonlinear optical conductivity in a bilayer graphene is investigated. We demonstrate the very different role played by the Rashba term and interlayer hopping; in some cases, the two roles can be quite opposite. It is found that the Rashba term can either enhance or suppress the nonlinear effect in a bilayer graphene, depending on the strength of the interlayer hopping. For a weak interlayer hopping, the Rashba term can significantly enhance the nonlinear effect. An analytical result was derived, showing the interplay of the Rashba effect and the interlayer hopping effect.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Field-induced intermediate ordered phase and anisotropic interlayer interactions in α-RuCl 3

In α-RuCl 3 , an external magnetic field applied within the honeycomb plane can induce a transition from a magnetically ordered state to a disordered state that is potentially related to the Kitaev quantum spin liquid. In zero field, single crystals with minimal stacking faults display a low-temperature state with in-plane zigzag antiferromagnetic order and a three-layer periodicity in the direction perpendicular to the honeycomb planes. In this work, we present angle-dependent magnetization, ac susceptibility, and thermal transport data that demonstrate the presence of an additional intermediate-field ordered state at fields below the transition to the disordered phase. Neutron-diffraction results show that the magnetic structure in this phase is characterized by a six-layer periodicity in the direction perpendicular to the honeycomb planes. Theoretically, the intermediate ordered phase can be accounted for by including spin-anisotropic couplings between the layers in a three-dimensional spin model. Together, this demonstrates the importance of interlayer exchange interactions in α-RuCl 3 .

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 OSTI2022

Emerging exciton physics in transition metal dichalcogenide heterobilayers

Atomically thin transition metal dichalcogenides (TMDs) are 2D semiconductors with tightly bound excitons and correspondingly strong light–matter interactions. Owing to the weak van der Waals bonding between layers, TMDs can be isolated and stacked together to form synthetic heterostructures with emergent electronic and excitonic properties. In this Review, we focus on the emergent exciton physics in moiré superlattices and in TMD heterobilayers coupled to optical cavities, where exciton behaviour can be dramatically modified by the environment. Further, in moiré superlattices, a small twist angle or lattice mismatch between the layers introduces a periodic variation in the interlayer alignment that leads to exciton localization, modified optical selection rules and strong correlations. In cavity–heterostructure systems, light–matter interaction is enhanced and exciton states can couple to the cavity to form exciton-polaritons, whose properties depend on the specific TMD layers involved and their alignment. Here, we discuss recent theoretical and experimental progress towards realizing exotic exciton states in TMD heterobilayers and comment on future scientific and technological directions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhanced Pair-Density-Wave Vertices in a Bilayer Hubbard Model at Half Filling

Motivated by the pair-density-wave (PDW) state found in the one-dimensional Kondo-Heisenberg chain, we report on a determinant quantum Monte Carlo study of pair fields for a two-dimensional half-filled Hubbard layer coupled to an itinerant, noninteracting layer with one electron per site. In a specific range of interlayer hopping, the pairing vertex associated with PDW order becomes more attractive than that for uniform d-wave pairing, although both remain subdominant to the leading antiferromagnetic correlations at half filling. In conclusion, our result sheds light on where one potentially may find a PDW state in such a model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Ultrafast Carrier–Lattice Interactions and Interlayer Modulations of Bi 2 Se 3 by X-ray Free-Electron Laser Diffraction

We report as a 3D topological insulator, bismuth selenide (Bi 2 Se 3 ) has potential applications for electrically and optically controllable magnetic and optoelectronic devices. Understanding the coupling with its topological phase requires studying the interactions of carriers with the lattice on time scales down to the sub-picosecond regime. Here we investigate the ultrafast carrier-induced lattice contractions and interlayer modulations in Bi 2 Se 3 thin films by time-resolved diffraction using an X-ray free-electron laser. The lattice contraction depends on the carrier concentration and is followed by an interlayer expansion accompanied by oscillations. Using density functional theory (DFT) and the Lifshitz model, the initial contraction can be explained by van der Waals force modulation of the confined free carrier layers. Our theory suggests that band inversion, related to a topological phase transition, is modulated by the expansion of the interlayer distance. These results provide insights into the topological phase control by light-induced structural change on ultrafast timescales.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Exchange coupling in hybrid anisotropy magnetic multilayers quantified by vector magnetometry

Hybrid anisotropy thin film heterostructures, where layers with perpendicular and in-plane anisotropy are separated by a thin spacer, are novel materials for zero/low field spin torque oscillators and bit patterned media. Here, we report on magnetization reversal and exchange coupling in a archetypal Co/Pd (perpendicular)-NiFe (in-plane) hybrid anisotropy system studied using vector vibrating sample magnetometry. This technique allows us to quantify the magnetization reversal in each individual magnetic layer, and measure of the interlayer exchange as a function of non-magnetic spacer thickness. At large (>1 nm) spacer thicknesses Ruderman-Kittel-Kasuya-Yosida-like exchange dominates, with orange-peel coupling providing a significant contribution only for sub-nm spacer thickness.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗