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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unconventional Superconductivity Mediated by Exciton Density Wave Fluctuations

Synthetic platforms afford an unparalleled degree of controllability in realizing strongly correlated phases of matter. In this Letter, we study the possibility of electrically tunable exciton-mediated superconductivity arising in charge-imbalanced bilayer semiconductors. Focusing on the case of a bilayer semiconductor heterostructure, we identify the gating conditions required to achieve exciton density wave order within a self-consistent Hartree-Fock approximation. We analyze the role of the coupling of excitonic fluctuations to the fermionic charge carriers to find that the Goldstone mode of the density wave order can mediate attractive interactions leading to superconductivity. Furthermore, when the system is close to the density wave ordering, the interactions mediated by low-energy exciton modes can support an interlayer pair-density wave superconductor of anisotropic character. We discuss experimental signatures associated with these phenomena.

excitons↗
DOE OSTI2019

Influence of magnetism on Dirac semimetallic behavior in nonstoichiometric Sr 1 - y Mn 1 - z Sb 2 ( y ~ 0.07 , z ~ 0.02 )

Nonstoichiometric Sr 1-y Mn 1-z Sb 2 (y,z < 0.1) is known to exhibit a coexistence of magnetic order and the nontrivial semimetallic behavior. Here, we report the magnetism and its strong coupling to the semimetallic behavior, by a combined use of inelastic neutron scattering (INS) and density functional theory (DFT). A phase separation consisting of a majority antiferromagentic phase and a minority ferromagnetic phase is proposed. We found a relatively large spin excitation gap ≈ 8.5meV at 5 K, and the interlayer magnetic exchange constant only 2.8% of the dominant intralayer magnetic interaction, evidencing a quasi-2D magnetism in Sr 1-y Mn 1-z Sb 2 . Using DFT, we find a strong influence of magnetic orders on the electronic band structure and the Dirac dispersions near the Fermi level along the Y-S direction in the presence of a ferromagnetic order. Furthermore, we demonstrate that the size of the ferromagnetic ordered moment is an effective strategy to tune Dirac/Weyl dispersions near the Fermi level. Lastly, our study unveils novel interplay between the magnetic order, ordered moment, and electronic band topology in Sr 1-y Mn 1-z Sb 2 and opens pathways to control the relativistic band structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Surface nematic order in iron pnictides

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. In addition, we found that the interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. Lastly, the intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe 2 As 2-x P x .

36 MATERIALS SCIENCE↗
DOE OSTI2019

Low-Temperature Magnetization Switching of Bilayer FeNi/FeMn Films

A change in the kinetics of magnetization reversal of a bilayer ferromagnet–antiferromagnet film during a decrease in the temperature is experimentally detected. The motion of a zigzag domain wall is typical of high-temperature conditions, and the system undergoes magnetization reversal by irregular rotation at low temperatures. This phenomenon is found to occur only in a coupled system of layers with exchange anisotropy: it is absent when the antiferromagnetic layer is removed. The change in the character of magnetization reversal at low temperatures is related to the appearance of specific pinning of domain walls, which is caused by interface regions with a varying chirality of an interlayer exchange spring and a perpendicular magnetic anisotropy at interface steps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Realization of GaInP/Si dual-junction solar cells with 29.8% 1-sun efficiency

Combining a Si solar cell with a high-bandgap top cell reduces the thermalization losses in the short wavelength and enables theoretical 1-sun efficiencies far over 30%. We have investigated the fabrication and optimization of Si-based tandem solar cells with 1.8-eV rear-heterojunction GaInP top cells. The III-V and Si heterojunction subcells were fabricated separately and joined by mechanical stacking using electrically insulating optically transparent interlayers. Our GaInP/Si dual-junction solar cells have achieved a certified cumulative 1-sun efficiency of 29.8% ± 0.6% (AM1.5g) in four-terminal operation conditions, which exceeds the record 1-sun efficiencies achieved with both III-V and Si single-junction solar cells. Furthermore, the effect of luminescent coupling between the subcells has been investigated, and optical losses in the solar cell structure have been addressed.

14 SOLAR ENERGY↗
DOE OSTI2022

Spin injection by spin–charge coupling in proximity induced magnetic graphene

Abstract Within the field of spintronics major efforts are directed towards developing applications for spin-based transport devices made fully out of two-dimensional materials. In this work we present an experimental realization of a spin-valve device where the generation of the spin signal is exclusively attributed to the spin-dependent conductivity of the magnetic graphene resulting from the proximity of an interlayer antiferromagnet, chromium sulfide bromide (CrSBr). We clearly demonstrate that the usage of the conventional air-sensitive 3D magnetic contacts can be fully avoided when graphene/CrSBr heterostructures are employed. Moreover, apart from providing exceptionally long spin relaxation length, the usage of graphene for both generation and transport of the spin allows to automatically avoid the conductivity mismatch between the source and the channel circuits that has to be considered when using conventional low-resistive contacts. Our results address a necessary step in the engineering of spintronic circuitry out of layered materials and precede further developments in the area of complex spin-logic devices. Moreover, we introduce a fabrication procedure where we designed and implemented a recipe for the preparation of electrodes via a damage-free technique that offers an immediate advantage in the fields of air-sensitive and delicate organic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ionically Active MXene Nanopore Actuators

Reversible electrochemical intercalation of cations into the interlayer space of 2D materials induces tunable physical and chemical properties in them. In MXenes, a large class of recently developed 2D carbides and nitrides, low intercalation energy, high storage capacitance, and reversible intercalation of various cations have led to their improved performance in sensing and energy storage applications. In this work, a coupled nanopore-actuator system where an ultrathin free-standing MXene film serves as a nanopore support membrane and ionically active actuator is reported. In this system, the contactless MXene membrane in the electric field affects the cation movement in the field through their (de)intercalation between individual MXene flakes. This results in reversible swelling and contraction of the membrane monitored by ionic conductance through the nanopore. This unique nanopore coupled to a mechanical actuation system could provide new insights into designing single-molecule biosensing platforms at the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Joining of Zirconium Diboride-Based Ceramic Composites to Metallic Systems for High-Temperature Applications

Three types of hot-pressed zirconium diboride (ZrB2)-based ultra-high-temperature ceramic composites (UHTCC), ZrB2-SiC (ZS), ZrB2-SiC-C (ZSC), and ZrB2-SCS9-SiC (ZSS), were joined to Cu-clad-Mo using two Ag-Cu brazes (Cusil-ABA and Ticusil, T(sub L) approx.1073-1173 K) and two Pd-base brazes (Palco and Palni, T(sub L) approx.1493-1513 K). Scanning Electron Microscopy (SEM) coupled with energy-dispersive spectroscopy (EDS) revealed greater chemical interaction in joints made using Pd-base brazes than in joints made using Ag-Cu based active brazes. The degree of densification achieved in hot pressed composites influenced the Knoop hardness of the UHTCC and the hardness distribution across the braze interlayer. The braze region in Pd-base system displayed higher hardness in joints made using fully-dense ZS composites than in joints made using partially-dense ZSS composites and the carbon-containing ZSC composites. Calculations indicate a small negative elastic strain energy and an increase in the UHTCC's fracture stress up to a critical clad layer thickness . Above this critical thickness, strain energy in the UHTCC is positive, and it increases with increasing clad layer thickness. Empirical projections show a reduction in the effective thermal resistance of the joints and highlight the potential benefits of joining the UHTCC to Cu-clad-Mo.

Asthana, R.↗
DOE OSTI2020

Berry curvature memory through electrically driven stacking transitions

In two-dimensional layered quantum materials, the interlayer stacking order determines both crystalline symmetry and quantum electronic properties such as Berry curvature, topology and electron correlation. Electrical stimuli can strongly influence quasi-particle interactions and the free energy landscape, thus making it possible to access hidden stacking orders with novel quantum properties and enabling dynamic engineering of these attributes. In this paper, we demonstrate electrically driven stacking transitions and a new type of nonvolatile memory based on Berry curvature in few-layer WTe 2 . The interplay of out-of-plane electric fields and electrostatic doping controls in-plane interlayer sliding and creates multiple polar and centrosymmetric stacking orders. In-situ nonlinear Hall transport reveals such stacking rearrangements result in a layer-parity-selective Berry curvature memory in momentum space, where the sign reversal of the Berry curvature only occurs in odd layer crystals. Our findings open an avenue towards exploring coupling between topology, electron correlations, and ferroelectricity in hidden stacking orders and demonstrate a new low energy cost, electrically-controlled topological memory in the atomically thin limit.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Pressure‐Induced Metallization and Isostructural Transitions in 3R‐MoS2

At ambient conditions 3R-polytypes of transition metal dichalcogenides (TMDs) demonstrate fascinating properties because of their unique layer stacking. Understanding the structure-property relationship is essential for the realization of their use in spintronic, valleytronic, and optoelectronic applications. Herein, after the high pressure-temperature synthesis of 3R-MoS2 in a large volume cubic press, a concomitant experimental and theoretical high-pressure study of 3R-MoS2 is reported, leading to the discovery of pressure-induced reversible isostructural phase transitions without symmetry breaking. Concurrent with the isostructural transitions, a semiconductor-to-metal transition is observed, owing to strong interlayer interaction and charge redistribution across the van der Waals gap under pressure. The pressure-induced enhancement of interlayer interactions together with the robust intrinsic layer stacking in 3R-MoS2 prevent the layers from sliding under pressure and hinder a corresponding volume collapse. This study on continuous pressure-tuning of crystal and electronic structure in 3R-MoS2 will play a vital role in developing the next-generation devices involving coupling of structural, optical, and electrical properties of 3R-polytypes of TMDs and other layered materials.

Ahmad, Azkar Saeed↗
DOE OSTI2024

Effective Modulation of Interlayer Excitons in WSe 2 /WS 2 Heterostructures by Plasmon–Exciton Interaction

Effective charge transfer and carrier separation at the interface are paramount for optimizing the performance of devices based on van der Waals heterostructures. In this investigation, surface plasmons generated by gold nanoparticles are employed to modulate the photocarrier dynamics in WSe 2 /WS 2 heterostructures. The results of pump-probe measurements reveal that the efficiency of carrier transfer across the WSe 2 /WS 2 heterostructure interface can be significantly enhanced via energy transfer mechanisms mediated by gold plasmons. Moreover, the electric field engendered by the plasmonic oscillations can modulate the dipole moment of the interlayer exciton. These well-aligned excitons avoid the annihilation and the extension of the lifetime of the excitons with increased pump power is realized by screening effect. The findings presented herein offer valuable insights for the active manipulation of charge transfer and extend our understanding of the integral role played by plasmon-exciton coupling in mediating charge separation in van der Waals heterostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Proximity-enhanced valley Zeeman splitting at the WS 2 /graphene interface

The valley Zeeman physics of excitons in monolayer transition metal dichalcogenides provides valuable insight into the spin and orbital degrees of freedom inherent to these materials. Being atomically-thin materials, these degrees of freedom can be influenced by the presence of adjacent layers, due to proximity interactions that arise from wave function overlap across the 2D interface. Here, we report 60 T magnetoreflection spectroscopy of the A- and B- excitons in monolayer WS 2 , systematically encapsulated in monolayer graphene. While the observed variations of the valley Zeeman effect for the A- exciton are qualitatively in accord with expectations from the bandgap reduction and modification of the exciton binding energy due to the graphene-induced dielectric screening, the valley Zeeman effect for the B- exciton behaves markedly different. We investigate prototypical WS 2 /graphene stacks employing first-principles calculations and find that the lower conduction band of WS 2 at the <?CDATA $K/K^{^{\prime}}$?> K / K ′ valleys (the <:tex-math><?CDATA $\mathrm{CB}^-$?> C B − band) is strongly influenced by the graphene layer on the orbital level. Specifically, our detailed microscopic analysis reveals that the conduction band at the Q point of WS 2 mediates the coupling between <?CDATA $\mathrm{CB}^-$?> C B − and graphene due to resonant energy conditions and strong coupling to the Dirac cone. This leads to variations in the valley Zeeman physics of the B- exciton, consistent with the experimental observations. Our results therefore expand the consequences of proximity effects in multilayer semiconductor stacks, showing that wave function hybridization can be a multi-step energetically resonant process, with different bands mediating the interlayer interactions. Such effects can be further exploited to resonantly engineer the spin-valley degrees of freedom in van der Waals and moiré heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Recovering cavity effects in corrugated organic light emitting diodes

Cavity effects play an important role in determining the out-coupling efficiency of an OLED. By fabricating OLEDs on corrugated substrates, the waveguide and SPP modes can be extracted by diffraction. However, corrugation does not always lead to an enhancement in out-coupling efficiency due to the reduction of the electrode reflectance and hence the cavity effects. Based on the results of our rigorous couple-wave analysis (RCWA) simulation, we found that the cavity effects can be partially recovered using a low index Teflon layer inserted between the ITO anode and the substrate due to the enhancement of the reflectance of the corrugated electrodes. To verify the simulation results, we fabricated corrugated OLEDs having a low-index Teflon interlayer with an EQE of 36%, which is 29% higher than an optimized planar OLED. By experimentally measuring the OLED air mode dispersion, we confirm the cavity emission of a corrugated OLED is enhanced by the low index layer.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spin pumping and inverse Rashba-Edelstein effect in NiFe/Ag/Bi and NiFe/Ag/Sb

The Rashba effect is an interaction between the spin and the momentum of electrons induced by the spin-orbit coupling in surface or interface states. We measured the inverse Rashba-Edelstein effect via spin pumping in Ag/Bi and Ag/Sb interfaces. The spin current is injected from the ferromagnetic resonance of a NiFe layer towards the Rashba interfaces, where it is further converted into a charge current. Using spin pumping theory, we quantify the conversion parameter of spin to charge current to be 0.11 ± 0.02 nm for Ag/Bi and a factor of ten smaller for Ag/Sb. The relative strength of the effect is in agreement with spectroscopic measurements and first principles calculations. We also vary the interlayer materials to study the voltage output in relation to the change of the effective spin mixing conductance. The spin pumping experiment offers a straight-forward approach of using spin current as an efficient probe for detecting interface Rashba splitting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Scalable Synthesis and Characterization of Multilayer γ-Graphyne, New Carbon Crystals with a Small Direct Band Gap

γ-Graphyne is the most symmetric sp 2 /sp 1 allotrope of carbon, which can be viewed as graphene uniformly expanded through the insertion of two-carbon acetylenic units between all the aromatic rings. To date, synthesis of bulk γ-graphyne has remained a challenge. In this work, we report the synthesis of multilayer γ-graphyne through crystallization-assisted irreversible cross-coupling polymerization. A comprehensive characterization of this new carbon phase is described, including synchrotron powder X-ray diffraction, electron diffraction, lateral force microscopy, Raman spectroscopy, infrared spectroscopy, and cyclic voltammetry. Experiments indicate that γ-graphyne is a 0.48 eV band gap semiconductor, with a hexagonal a-axis spacing of 6.88 Å and an interlayer spacing of 3.48 Å, which is consistent with theoretical predictions. The observed crystal structure has an aperiodic sheet stacking. The material is thermally stable up to 240 °C but undergoes transformation at higher temperatures. While conventional 2D polymerization and reticular chemistry rely on error correction through reversibility, we demonstrate that a periodic covalent lattice can be synthesized under purely kinetic control. The reported methodology is scalable and inspires extension to other allotropes of the graphyne family.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Synergistic Coupling of CO2 and H2O during Expansion of Clays in Supercritical CO2-CH4 Fluid Mixtures

A combination of in operando IR and XRD methods were used to investigate the interaction of variably hydrated supercritical CO2-CH4 fluids with Na/NH4/Cs substituted montmorillonites. Comparing the behavior of Na-clay exposed to CH4 versus CO2 dominant fluid phases demonstrated that CO2 disrupts the H-bond network of intercalated H2O. At relatively low potentials of H2O, CO2 facilitates H2O intercalation and expansion of the interlayer region of the Na-clay. In contrast, CO2 inhibited H2O intercalation but promoted expansion of the Cs-clay. The NH4-clay displayed intermediated behavior. Methane likely intercalated the clays but opportunistically, filling unoccupied space after CO2 and H2O actively expanded the interlayer region. By comparing and contrasting the behavior of the Cs and NH4 clays to the Na Clay we conclude that, whereas H2O is required for initial Na-clay expansion, CO2 synergistically facilitated expansion and hydration of Na-clay by mixing with H2O (the entropic contribution) and participating in the outer solvation sphere of Na (the enthalpic contribution). In contrast, CO2 can directly solvate interlayer Cs and NH4 and cause expansion in the absence of H2O; nonetheless, H2O and CO2 also act synergistically to facilitate expansion of the Cs and NH4 clays at low H2O concentrations.

Loring, John S.↗
DOE OSTI2015

Proximity enhanced quantum spin Hall state in graphene

Graphene is the first model system of two-dimensional topological insulator (TI), also known as quantum spin Hall (QSH) insulator. The QSH effect in graphene, however, has eluded direct experimental detection because of its extremely small energy gap due to the weak spin–orbit coupling. Here we predict by ab initio calculations a giant (three orders of magnitude) proximity induced enhancement of the TI energy gap in the graphene layer that is sandwiched between thin slabs of Sb 2 Te 3 (or MoTe 2 ). This gap (1.5 meV) is accessible by existing experimental techniques, and it can be further enhanced by tuning the interlayer distance via compression. We reveal by a tight-binding study that the QSH state in graphene is driven by the Kane–Mele interaction in competition with Kekulé deformation and symmetry breaking. As a result, the present work identifies a new family of graphene-based TIs with an observable and controllable bulk energy gap in the graphene layer, thus opening a new avenue for direct verification and exploration of the long-sought QSH effect in graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Phonon modes and electron–phonon coupling at the FeSe/SrTiO 3 interface

The remarkable increase in superconducting transition temperature (T c ) observed at the interface of one-unit-cell FeSe films on SrTiO3 substrates (1 uc FeSe/STO) has attracted considerable research into the interface effects. Although this high T c is thought to be associated with electron-phonon coupling (EPC), the microscopic coupling mechanism and its role in the superconductivity remain elusive. Here we use momentum-selective high-resolution electron energy loss spectroscopy to atomically resolve the phonons at the FeSe/STO interface. We uncover new optical phonon modes, coupling strongly with electrons, in the energy range of 75-99 meV. These modes are characterized by out-of-plane vibrations of oxygen atoms in the interfacial double-TiO x layer and the apical oxygens in STO. Our results also demonstrate that the EPC strength and superconducting gap of 1 uc FeSe/STO are closely related to the interlayer spacing between FeSe and the TiOx terminated STO. These findings shed light on the microscopic origin of the interfacial EPC and provide insights into achieving large and consistent T c enhancement in FeSe/STO and potentially other superconducting systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗