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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 OSTI2022

Designing strong and tunable magnetoelectric coupling in 2D trilayer heterostructures

Abstract The quest for electric-field control of nanoscale magnetic states such as skyrmions, which would impact the field of spintronics, has led to a challenging search for multiferroic materials or structures with strong magnetoelectric coupling and efficient electric-field control. Here we report a theoretical prediction that such phenomena can be realized in two-dimensional (2D) bilayer FE/PMM and trilayer FE/PMM/FE heterostructures (two-terminal and three-terminal devices), where FE is a 2D ferroelectric and PMM is a polar magnetic metal with strong spin–orbit coupling. Such a PMM has strong Dzyaloshinskii-Moriya interactions (DMI) that can generate skyrmions, while the FE can generate strong magnetoelectric coupling through polarization-polarization interactions. In trilayer heterostructures, contact to the metallic PMM layer enables multiple polarization configurations for electric-field control of skyrmions. We report density-functional-theory calculations for particular material choices that demonstrate the effectiveness of these arrangements, with the key driver being the polarization-polarization interactions between the PMM and FE layers. The present findings provide a method to achieve strong magnetoelectric coupling in the 2D limit and a new perspective for the design of related spintronics.

Materials Science↗
DOE OSTI2021

Strong effect of scandium source purity on chemical and electronic properties of epitaxial Sc x Al 1–x N/GaN heterostructures

Epitaxial multilayer heterostructures of Sc x Al 1–x N/GaN with Sc contents x = 0.11–0.45 are found to exhibit significant differences in structural quality, chemical impurity levels, and electronic properties depending on the starting Sc source impurity levels. A higher purity source leads to a 2–3 orders of magnitude reduction in the carbon, oxygen, and fluorine unintentional doping densities in MBE-grown Sc x Al 1–x N/GaN multilayers. Electrical measurements of Sc x Al 1–x N/n + GaN single heterostructure barriers show a 5–7 orders of magnitude reduction in the electrical leakage for films grown with a higher purity Sc source at most Sc contents. The measured chemical and electrical properties of epitaxial Sc x Al 1–x N highlight the importance of the starting Sc source material purity for epitaxial device applications that need these highly piezoelectric and/or ferroelectric transition-metal nitride alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Novel X-Ray Probes of Electronically Heterogeneous Quantum Materials

The goal of this research was to advance the use of resonant soft x-ray scattering (RSXS) by deepening our theoretical understanding of the technique and expanding its use to a wide range of materials. Under this award, we showed how RSXS techniques can be applied to oxide heterostructures, studied commensuration effects in Wigner crystals, discovered a charge density wave in nickel-arsenide superconductors, and measured time-resolved dynamics of charge order in copper-oxide superconductors, among many other achievements. This award contributed to adoption of RSXS techniques by researchers around the nation and the world.

36 MATERIALS SCIENCE↗
DOE OSTI2021

RKKY Exchange Bias Mediated Ultrafast All-Optical Switching of a Ferromagnet

The discovery of ultrafast helicity-independent all-optical switching (HI-AOS), as well as picosecond all-electrical switching of a ferrimagnet, has inspired the ultrafast spintronics community to explore ultrafast switching of a ferromagnet to achieve practical ultrafast storage and memory devices. Two explored mechanisms of HI-AOS of a ferromagnet in ferromagnet-ferrimagnet heterostructure are: a) exploiting the indirect exchange coupling with and b) injection of non-local spin current originated from a switching ferrimagnet. Here, in this manuscript, exchange mediated HI-AOS of a Ruderman–Kittel–Kasuya–Yosida (RKKY) exchange coupled “[Co/Pt]-multilayers/Pt spacer/CoGd” heterostructure is demonstrated. The authors have measured layer-resolved static magnetic properties, single-shot HI-AOS, and magnetization dynamics of the ferromagnetic Co/Pt multilayers (MLs), that are ferromagnetically or antiferromagnetically coupled with ferrimagnetic CoGd layers. Time-resolved magnetization dynamics reveal a 3.5 ps switching time of the Co/Pt MLs, which is the fastest switching of a ferromagnet reported to date. Employing an extended microscopic three-temperature model, the temporal dynamics of the exchange coupled ferromagnet–ferrimagnet heterostructure are simulated, qualitatively and quantitatively explaining the experimental switching phenomena. This work experimentally as well as theoretically establishes the mechanism of exchange mediated all-optical switching of ferromagnet-ferrimagnet heterostructures, which can be integrated with a magnetic tunnel junction for efficient reading after ultrafast energy-efficient switching.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Superconductivity in dilute SrTiO 3 : A review

Doped SrTiO 3 , one of the most dilute bulk systems to display superconductivity, is perhaps the first example of an unconventional superconductor, as it does not fit into the standard BCS paradigm. More than five decades of research has revealed a rich temperature-carrier concentration phase diagram that showcases a superconducting dome, proximity to a putative quantum critical point, Lifshitz transitions, a multi-gap pairing state and unusual normal-state transport properties. Research has also extended beyond bulk SrTiO 3 , ushering the new field of SrTiO 3 -based heterostructures. Because many of these themes are also featured in other quantum materials of contemporary interest, recent years have seen renewed interest in SrTiO 3 . Here, we review the challenges and recent progress in elucidating the superconducting state of this model system. At the same time that its extreme dilution requires to revisit several of the approximations that constitute the successful Migdal–Eliashberg description of electron–phonon superconductivity, including the suppression of the Coulomb repulsion via the Tolmachev–Anderson–Morel mechanism, it opens interesting routes for alternative pairing mechanisms whose applicability remains under debate. For instance, pairing mechanisms involving longitudinal optical phonons have to overcome the hurdles created by the anti-adiabatic nature of the pairing interaction, whereas mechanisms that rely on the soft transverse optical phonons associated with incipient ferroelectricity face challenges related to the nature of the electron–phonon coupling. Proposals in which pairing is mediated by plasmons or promoted locally by defects are also discussed. In conclusion, we finish by surveying the existing evidence for multi-band superconductivity and outlining promising directions that can potentially shed new light on the rich problem of superconductivity in SrTiO 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Long-Lived Charge-Transfer Excitons in a Graphene–PTCDI–TiOPc Trilayer Heterostructure

Excitation transfer across the interfaces between graphene, perylenetetracarboxylic diimide (PTCDI), and titanyl phthalocyanine (TiOPc) was studied by using transient absorption and photoluminescence spectroscopy. Both photoluminescence quenching and transient absorption measurements confirm the presence of a type-II interface between PTCDI and TiOPc. While the graphene/PTCDI interface is expected to exhibit type-I behavior, transient absorption measurements indicate that only electrons transfer from PTCDI to graphene, with no evidence of hole transfer. Density functional theory calculations reveal significant ground-state electron transfer from graphene to PTCDI, resulting in band bending that prevents excited holes from transferring from PTCDI to graphene. This feature is exploited in a trilayer heterostructure of graphene/PTCDI/TiOPc, where the spatial separation of photoexcited electrons and holes in graphene and TiOPc, respectively, leads to the formation of long-lived photoexcitations with a lifetime of approximately 500 ps. Furthermore, spatially resolved transient absorption measurements reveal the immobile nature of these excitations, confirming that they are charge-transfer excitons rather than free electrons and holes. Furthermore, these results provide valuable insights into the complex interlayer photoexcitation transfer properties and demonstrate precise control over the layer population and the recombination lifetime of photocarriers in such hybrid heterostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Ion-Assisted Nanoscale Material Engineering in Atomic Layers

Achieving deterministic control over the properties of low-dimensional materials with nanoscale precision is a long-sought goal. Mastering this capability has a transformative effect on the design of multifunctional electrical and optical devices. Here, we present an ion-assisted synthetic technique that enables precise control over the material composition and energy landscape of two-dimensional (2D) atomic crystals. Our method transforms binary transition-metal dichalcogenides, like MoSe2, into ternary MoS2αSe2(1-α) alloys with systematically adjustable compositions, α. By piecewise assembly of the lateral, compositionally modulated MoS2αSe2(1-α) segments within 2D atomic layers, we present a synthetic pathway toward the realization of multicompositional designer materials. Our technique enables the fabrication of advanced 2D structures with arbitrary boundaries, dimensions as small as 30 nm, and fully customizable energy landscapes. Our optical characterizations further showcase the potential for implementing tailored optoelectronics in these engineered 2D crystals.

2D materials↗
DOE OSTI2021

Nanoscale lattice dynamics in hexagonal boron nitride moiré superlattices

Twisted two-dimensional van der Waals (vdW) heterostructures have unlocked a new means for manipulating the properties of quantum materials. The resulting mesoscopic moiré superlattices are accessible to a wide variety of scanning probes. To date, spatially-resolved techniques have prioritized electronic structure visualization, with lattice response experiments only in their infancy. Here, we therefore investigate lattice dynamics in twisted layers of hexagonal boron nitride (hBN), formed by a minute twist angle between two hBN monolayers assembled on a graphite substrate. Nano-infrared (nano-IR) spectroscopy reveals systematic variations of the in-plane optical phonon frequencies amongst the triangular domains and domain walls in the hBN moiré superlattices. Our first-principles calculations unveil a local and stacking-dependent interaction with the underlying graphite, prompting symmetry-breaking between the otherwise identical neighboring moiré domains of twisted hBN.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Roles of bandgrading, lifetime, band alignment, and carrier concentration in high-efficiency CdSeTe solar cells

CdSeTe alloying has significantly increased the efficiency of CdTe-based solar technology. Here, computational modeling compares how different CdSeTe bandgrading, carrier lifetimes, band alignment, and carrier concentrations contribute to transport, recombination, and performance. We find that the gain in photocurrent caused by bandgap narrowing alone is insufficient to describe experimental efficiency gains. Performance can be increased by adjusting CdSeTe compositions and bandgrading depths. However, these performance gains are small relative to the contributions of enhanced lifetime by Se alloying, which can explain record cell efficiency gains with minimal open-circuit voltage loss despite significant bandgap narrowing. Similarly, CdSeTe band alignment shifts can significantly increase performance if front interface recombination is prevalent. For a wide range of CdSeTe grading profiles, the hole density is a critical component to achieve efficiencies exceeding 25%.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ferroelectric Al1 − xBxN–GaN heterostructures

This report demonstrates Al0.93B0.7N thin films grown epitaxially on n-type GaN (0002)/c-plane sapphire substrates by reactive magnetron sputtering at 300 °C. At 200 nm film thickness, the Al0.93B0.07N layers exhibit partially relaxed substrate-induced epitaxial strain, a 0.16° wide (0002) rocking curve, in-plane crystallographic registry, and sub-nanometer surface roughness. Electrically, the stack shows robust hysteresis over three frequency decades, a remanent polarization of ∼125 μC/cm2, a strongly frequency dependent coercive field, highly uniform dc leakage currents, and endurance >106 field cycles. This report validates possibilities for ferroelectric nitride integration into conventional III-nitride heterostructures with high crystalline fidelity, high electrical resistivity, and persistent hysteresis. Such materials are synthesizable at thermal budgets and temperatures compatible with back-end-of-the-line boundary conditions.

Physics↗
DOE OSTI2025

Epitaxial integration of superconducting nitrides with cubic GaN

Epitaxial combination of transition metal nitrides and group III-nitrides holds significant potential for novel device architectures, given their wide array of properties and similar lattice constants. However, the mixture of hexagonal and cubic crystals limits structural quality and has stymied development. This work will discuss the molecular beam epitaxy synthesis of metastable cubic GaN on 3C-SiC templates and its integration with cubic ZrN and NbN superconductors in single and multilayer heterostructures. The fully cubic nature of GaN and the epitaxial nature of all layers are confirmed via in situ and ex situ techniques. The electrical transport properties of transition metal nitrides on cubic GaN (001) are compared to those grown directly on 3C-SiC (001) and c-plane hexagonal GaN templates. The determination of a similar growth window for cubic wide-bandgap and superconducting metal nitrides creates a platform for new epitaxial device architectures and potential applications in metamaterials, quantum information science, and condensed matter physics.

Condensed matter physics↗
DOE OSTI2023

Breaking electron pairs in the pseudogap regime of SmTiO 3 − SrTiO 3 − SmTiO 3 quantum wells

The strongly correlated two-dimensional electron liquid within SmTiO 3 /SrTiO 3 /SmTiO 3 quantum well structures exhibits a pseudogap phase when the quantum well width is sufficiently narrow. Using low-temperature transport and optical experiments that drive the quantum-well system out of equilibrium, we find evidence of mobile, long-lived, negatively charged quasiparticles, consistent with the idea that the pseudogap phase arises from strongly bound electron pairs. As a result, these experimental results establish a connection between quantum confinement and enhanced electron pairing, which may provide a pathway to higher-temperature superconductors.

Correlated electronics↗
DOE OSTI2024

Quantum Anomalous Hall Crystal at Fractional Filling of Moiré Superlattices

We predict the emergence of a state of matter with intertwined ferromagnetism, charge order, and topology in fractionally filled moiré superlattice bands. Remarkably, these quantum anomalous Hall crystals exhibit a quantized integer Hall conductance that is different than expected from the filling and Chern number of the band. Microscopic calculations show that this phase is robustly favored at half-filling (𝜈 =1/2) at larger twist angles of the twisted semiconductor bilayer 𝑡⁢MoTe 2 .

Exact diagonalization↗
DOE OSTI2024

Anomalous proximitized transport in metal/quantum magnet heterostructure Bi 2 Ir 2 O 7 /Yb 2 Ti 2 O 7

Fluctuations of quantum spins play a crucial role in the emergence of exotic magnetic phases and excitations. The lack of the charge degree of freedom in insulating quantum magnets, however, precludes such fluctuations from mediating electronic transport. Here, we show that the quantum fluctuations of a localized frustrated magnet induce strong proximitized charge transport of the conduction electrons in a synthetic heterostructure comprising an epitaxial Bi 2 Ir 2 O 7 ultrathin film on a single crystal of Yb 2 Ti 2 O 7 . The proximity effects are evidenced by the scaling behavior of the Bi 2 Ir 2 O 7 resistance in correspondence with the dynamic scaling of the dynamic spincorrelation function of Yb 2 Ti 2 O 7 , which is a result of quantum fluctuations near a multiphase quantum critical point. The proximitized transport in Bi 2 Ir 2 O 7 can be effectively tuned by a magnetic field through suppressing the quantum spin fluctuations (QSFs) as well as inducing transitions via magnetic anisotropy in Yb 2 Ti 2 O 7 . In this study, we establish a pathway for harnessing QSFs in magnetic insulators with electric transport, offering exciting prospects for potential applications in the realm of quantum spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1989

InP shallow-homojunction solar cells

Indium phosphide solar cells with very thin n-type emitters have been made by both ion implantation and metalorganic chemical vapor deposition. Air mass zero efficiencies as high as 18.8 percent (NASA measurement) have been achieved. Although calculations show that, as is the case with GaAs, a heterostructure is expected to be required for the highest efficiencies attainable, the material properties of InP give the shallow-homojunction structure a greater potential than in the case of GaAs. The best cells, which were those made by ion implantation, show open-circuit voltage (V sub oc) of 873 mV, short-circuit current of 357 A/sq m (35.7 mA/sq cm), and fill factor of 0.829. Improvements are anticipated in all three of these parameters. Internal quantum efficiency peaks at over 90 percent in the red end of the spectrum, but drops to 54 percent in the blue end. Other cells have achieved 74 percent in the blue end. Detailed modeling of the data indicates that a high front surface recombination velocity is responsible for the low blue response, that the carrier lifetime is high enough to allow good carrier collection from both the base and the emitter, and that the voltage is base-limited.

Keavney, Christopher↗
DOE OSTI2022

Ultrathin ferroic HfO 2 –ZrO 2 superlattice gate stack for advanced transistors

With the scaling of lateral dimensions in advanced transistors, an increased gate capacitance is desirable both to retain the control of the gate electrode over the channel and to reduce the operating voltage. This led to a fundamental change in the gate stack in 2008, the incorporation of high-dielectric-constant HfO 2 , which remains the material of choice to date. Here we report HfO 2 –ZrO 2 superlattice heterostructures as a gate stack, stabilized with mixed ferroelectric–antiferroelectric order, directly integrated onto Si transistors, and scaled down to approximately 20 ångströms, the same gate oxide thickness required for high-performance transistors. The overall equivalent oxide thickness in metal–oxide–semiconductor capacitors is equivalent to an effective SiO 2 thickness of approximately 6.5 ångströms. Such a low effective oxide thickness and the resulting large capacitance cannot be achieved in conventional HfO 2 -based high-dielectric-constant gate stacks without scavenging the interfacial SiO 2 , which has adverse effects on the electron transport and gate leakage current. Accordingly, our gate stacks, which do not require such scavenging, provide substantially lower leakage current and no mobility degradation. This work demonstrates that ultrathin ferroic HfO 2 –ZrO 2 multilayers, stabilized with competing ferroelectric–antiferroelectric order in the two-nanometre-thickness regime, provide a path towards advanced gate oxide stacks in electronic devices beyond conventional HfO 2 -based high-dielectric-constant materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Out-of-Plane Magnetic Anisotropy Engineered via Band Distortion in Two-Dimensional Materials

We unveil the connection between magnetic anisotropy and band structures in Γ-specialized In 2 Se 3 /Fe 3 GeTe 2 heterostructure, through first-principles calculations. A significant band distortion occurs near the Γ point with a formed valley. As the band-distortion-caused valley moves relative to the quasivalence band maximum, the magnetic anisotropy switches between in-plane and out-of-plane magnetic anisotropy. Such a rule applies to either the strained or polarization-switched In 2 Se 3 /Fe 3 GeTe 2 heterostructure. Furthermore, these findings demonstrate the feasibility of predicting the magnetic anisotropy by band structure modification in two-dimensional magnetic systems.

2-dimensional systems↗