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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
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 OSTI2022

A Van der Waals Interface Hosting Two Groups of Magnetic Skyrmions

Multiple magnetic skyrmion phases add an additional degree of freedom for skyrmion-based ultrahigh-density spin memory devices. Extending the field to 2D van der Waals magnets is a rewarding challenge, where the realizable degree of freedoms (e.g., thickness, twist angle, and electrical gating) and high skyrmion density result in intriguing new properties and enhanced functionality. In this work, a van der Waals interface, formed by two 2D ferromagnets Cr 2 Ge 2 Te 6 and Fe 3 GeTe 2 with a Curie temperature of ≈65 and ≈205 K, respectively, hosting two groups of magnetic skyrmions, is reported. Two sets of topological Hall effect signals are observed below 6s0 K when Cr 2 Ge 2 Te 6 is magnetically ordered. These two groups of skyrmions are directly imaged using magnetic force microscopy, and supported by micromagnetic simulations. Interestingly, the magnetic skyrmions persist in the heterostructure with zero applied magnetic field. The results are promising for the realization of skyrmionic devices based on van der Waals heterostructures hosting multiple skyrmion phases.

2D magnetism↗
DOE OSTI2022

Proximity Effects and Topological Spin Currents in van der Waals Heterostructures (Final Report)

The major goal of this grant has been to study spin-polarized topological edge states. The original proposal was focused specifically on those of the quantum anomalous Hall (QAH) effect, which was proposed to be realizable via a (simultaneous) magnetic and spin-orbit proximity effect in graphene. En route to realizing the QAH effect, the goal was also to study the newly-discovered 2D magnetic insulators, which have finally been isolated in the single-to-few atomic layers from compounds whose bulk properties have known since the 1970s, and the extent to which magnetic effects could be seen in graphene via proximity coupling. Since the original proposal, the scope of the work has expanded to include study of the topological edge states of the quantum spin Hall (QSH) effect and how they are modified by proximity effects and in twisted bilayers. The broader scientific context of the experiments in this proposal is to understand the physical mechanisms behind proximity effects in van der Waals heterostructures. Perhaps the ultimate scientific and technological goal of realizing topological states through proximity effects is the creation of Majorana zero modes in solid-state devices, which has been identified as a major priority in condensed-matter physics and quantum information because of the potential use of Majorana zero modes in topological quantum computing. Van der Waals materials offer advantages in this area because of the diversity of materials that can potentially be used and the unique device architectures that are possible using the van der Waals assembly techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tunable phononic quantum interference induced by two-dimensional metals

Harnessing quantum interference among bosons provides opportunities due to their longer coherence time than fermions. Fano resonance, an example of quantum interference between discrete and continuous states, is marked by an asymmetric lineshape. While photon-based Fano resonance has enabled high-sensitivity molecule sensing, phonon-based Fano resonance remains underexplored because of ineffective interference between discrete phonons and electronic continuum. In this work, we report phonon-based Fano resonance in a graphene/2D Ag/SiC heterostructure, arising from frequency and lifetime matching between discrete and continuous phonons of SiC. The observed Fano asymmetry is tunable over two orders of magnitude, surpassing previously reported phonon-based systems. The 2D Ag layer restructures the interfacial SiC and facilitates resonant scattering to enhance Fano asymmetry, which is unattainable in conventional Ag. We further demonstrated that this Fano resonance allows ultrasensitive molecule detection at the single-molecule level. Our work highlights phonon-based Fano resonance, opening avenues for engineering quantum interference with phonons.

Science & Technology - Other Topics↗
DOE OSTI2020

Monolayer Semiconductor Auger Detector

Auger recombination in semiconductors is a many-body phenomenon in which the recombination of electrons and holes is accompanied by excitation of other charge carriers. The excess energy of the excited carriers is normally rapidly converted to heat, making Auger processes difficult to probe directly. In this paper, we employ a technique in which the Auger-excited carriers are detected by their ability to tunnel out of the semiconductor through a thin barrier, generating a current. We use vertical van der Waals heterostructures with monolayer WSe 2 as the semiconductor, with hexagonal boron nitride as the tunnel barrier, and a graphite collector electrode. The Auger processes combined with resonant absorption produce characteristic negative photoconductance. We detect holes Auger-excited by both neutral and charged excitons and find that the Auger scattering is surprisingly strong under weak excitation. Our work expands the range of techniques available for probing relaxation processes in 2D materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Ultrafast and Highly Mobile Photocarriers in Monolayer WSe 2 Doped by α-RuCl 3

We report an experimental investigation of photocarrier dynamics in a heterostructure formed by a WSe 2 monolayer stacked on a multilayer α-RuCl 3 flake. The samples were fabricated using mechanical exfoliation and dry transfer techniques. Photoluminescence measurements showed that the excitonic photoluminescence of WSe 2 is quenched by more than 3 orders of magnitude upon contact with α-RuCl 3 . Transient absorption measurements revealed an ultrashort photocarrier lifetime of 0.5 ps in the heterostructure. Spatially resolved transient absorption microscopy measurements were employed to probe the transport properties of these photocarriers, resulting in a room-temperature diffusion coefficient of 370 cm 2 s –1 , which is higher than the exciton diffusion coefficients of most previously studied 2D semiconductors. Furthermore, these results suggest that α-RuCl 3 -doped WSe 2 could be utilized in high-speed optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nonlinear optics in 2D materials: From classical to quantum

Nonlinear optics has long been a cornerstone of modern photonics, enabling a wide array of technologies, from frequency conversion to the generation of ultrafast light pulses. Recent breakthroughs in two-dimensional (2D) materials have opened a frontier in this field, offering new opportunities for both classical and quantum nonlinear optics. These atomically thin materials exhibit strong light–matter interactions and large nonlinear responses, thanks to their tunable lattice symmetries, strong resonance effects, and highly engineerable band structures. In this paper, we explore the potential that 2D materials bring to nonlinear optics, covering topics from classical nonlinear optics to nonlinearities at the few-photon level. We delve into how these materials enable possibilities, such as symmetry control, phase matching, and integration into photonic circuits. The fusion of 2D materials with nonlinear optics provides insights into the fundamental behaviors of elementary excitations—such as electrons, excitons, and photons—in low-dimensional systems and has the potential to transform the landscape of next-generation photonic and quantum technologies.

2D materials↗
DOE OSTI2026

Spin wave theory for the triaxial magnetic anisotropy 2D van der Waals antiferromagnet CrSBr

The magnetic properties of two-dimensional (2D) materials have been attracting increasing attention in recent years due to their unique behavior and possible applications in new devices. One material of great interest is the 2D van der Waals (vdW) crystal CrSBr, which exhibits antiferromagnetic (AF) order at low temperatures due to an interlayer AF exchange interaction. Here, we present a full quantum spin-wave theory for vdW crystals considering one interlayer and three intralayer exchange interactions, and triaxial magnetic anisotropy. The fits of the theoretical results to antiferromagnetic resonance measurements and inelastic neutron scattering data in CrSBr yield reliable values for the seven interaction parameters that can be used to calculate other properties of this interesting material.

2D materials↗
DOE OSTI2025

Spontaneous formation of robust two-dimensional perovskite phases

The two-dimensional on three-dimensional (2D/3D) perovskite bilayer heterostructure can improve the stability and performance of perovskite solar cells. We show that the 2D/3D perovskite stack in a device evolves dynamically during its end-of-life decomposition. Initially phase-pure 2D interlayers can evolve differently, resulting in different device stabilities. We show that a robust 2D interlayer can be formed using mixed solvents to regulate its crystallinity and phase purity. The resulting 2D/3D devices achieved 25.9% efficiency and had good durability, retaining 91% of their initial performance after 1074 hours at 85°C using maximum power point tracking.

14 SOLAR ENERGY↗
DOE OSTI2022

Characterization of Shallow, Undoped Ge/SiGe Quantum Wells Commercially Grown on 8-in. (100) Si Wafers

Hole spins in Ge quantum wells have shown success in both spintronic and quantum applications, thereby increasing the demand for high-quality material. We performed material analysis and device characterization of commercially grown shallow and undoped Ge/SiGe quantum well heterostructures on 8-in. (100) Si wafers. Material analysis reveals the high crystalline quality, sharp interfaces, and uniformity of the material. We demonstrate a high mobility (1.7 × 10 5 cm 2 V –1 s –1 ) 2D hole gas in a device with a conduction threshold density of 9.2 × 10 10 cm –2 . We study the use of surface preparation as a tool to control barrier thickness, density, mobility, and interface trap density. We report interface trap densities of 6 × 10 12 eV –1 . Our results validate the material’s high quality and show that further investigation into improving device performance is needed. We conclude that surface preparations which include weak Ge etchants, such as dilute H 2 O 2 , can be used for postgrowth control of quantum well depth in Ge-rich SiGe while still providing a relatively smooth oxide–semiconductor interface. Our results show that interface state density is mostly independent of our surface preparations, thereby implying that a Si cap layer is not necessary for device performance. Transport in our devices is instead limited by the quantum well depth. Commercially sourced Ge/SiGe, such as studied here, will provide accessibility for future investigations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Low Resistance Contact to P-Type Monolayer WSe 2

Advanced microelectronics in the future may require semiconducting channel materials beyond silicon. Two-dimensional (2D) semiconductors, with their atomically thin thickness, hold great promise for future electronic devices. One challenge to achieving high-performance 2D semiconductor field effect transistors (FET) is the high contact resistance at the metal-semiconductor interface. Here, in this study, we develop a charge-transfer doping strategy with WSe 2 /α-RuCl 3 heterostructures to achieve low-resistance ohmic contact for p-type monolayer WSe2 transistors. We show that hole doping as high as 3 × 10 13 cm -2 can be achieved in the WSe 2 /α-RuCl 3 heterostructure due to its type-III band alignment, resulting in an ohmic contact with resistance of 4 kΩ μm. Based on that, we demonstrate p-type WSe 2 transistors with an on-current of 35 μA·μm -1 and an I ON /I OFF ratio exceeding 10 9 at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Automated tabletop exfoliation and identification of monolayer graphene flakes

Over the past two decades, graphene has been intensively studied because of its remarkable mechanical, optical, and electronic properties. Initial studies were enabled by manual “Scotch Tape” exfoliation; nearly two decades later, this method is still widely used to obtain chemically pristine flakes of graphene and other 2D van der Waals materials. Unfortunately, the yield of large, pristine flakes with uniform thickness is inconsistent. Thus, significant time and effort are required to exfoliate and locate flakes suitable for fabricating multilayer van der Waals heterostructures. Here, we describe a relatively affordable tabletop device (the “eXfoliator”) that can reproducibly control key parameters and largely automate the exfoliation process. In a typical exfoliation run, the eXfoliator produces 3 or more large (≥ 400 μm 2 ) high-quality graphene monolayer flakes, allowing new users to produce such flakes at a rate comparable to manual exfoliation by an experienced user. Furthermore, we use an automated mapping system and a computer vision algorithm to locate candidate flakes. Our results provide a starting point for future research efforts to identify more precisely which parameters matter for the success of exfoliation and to optimize them.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Epitaxy of Emerging Materials and Advanced Heterostructures for Microelectronics and Quantum Sciences

Abstract Epitaxy, a process to prepare crystalline materials in nanostructures and thin films, is the core technology for preparing high‐quality materials as a key enabler of next‐generation microelectronics and quantum information system. Progress in epitaxy has been expanding the choice of materials and their heterostructures beyond the combinations limited by materials compatibility. However, the improvement of material quality, physical implementation of materials with unique properties, and integration of incommensurate materials in an architecture have been the challenging issues. Emerging materials, including 2D materials and quantum materials, have opened opportunities to study epitaxy mechanisms and realize various functional devices. Acceleration of discovery and progress in epitaxy research should be accomplished by “understanding of epitaxy under various circumstances at multiple length scales” and “integration of experiments and models.” In the perspective, a basic summary of the status of epitaxially grown materials, the challenges in epitaxy research, and integration of modeling epitaxy and ultimate control of the epitaxy process with advanced characterization techniques are discussed.

Materials Science↗
DOE OSTI2021

Range-separated hybrid functionals for mixed dimensional heterojunctions: Application to phthalocyanines/MoS 2

We analyze the electronic structure and level alignment of transition-metal phthalocyanine (MPc) molecules adsorbed on two-dimensional MoS 2 employing density functional theory (DFT) calculations. We develop a procedure for multi-objective optimal tuning of parameters of range-separated hybrid functionals in these mixed-dimensional systems. Using this procedure, which leads to the asymptotically-correct exchange-correlation potential between molecule and two-dimensional material, we obtain electronic structures consistent with experimental photoemission results for both energy level alignment and electronic bandgaps, representing a significant advance compared to standard DFT methods. We elucidate the MoS 2 valence resonance with the transition-metal phthalocyanine non-frontier 3d orbitals and its dependence on the transition metal atomic number. Based on our calculations, we derive parameter-free, model self-energy corrections that quantitatively accounts for the effects of the heterogeneous dielectric environment on the electronic structure of these mixed-dimensional heterojunctions.

2D materials↗
DOE OSTI2022

Deterministic fabrication of 3D/2D perovskite bilayer stacks for durable and efficient solar cells

Realizing solution-processed heterostructures is a long-enduring challenge in halide perovskites because of solvent incompatibilities that disrupt the underlying layer. By leveraging the solvent dielectric constant and Gutmann donor number, we could grow phase-pure two-dimensional (2D) halide perovskite stacks of the desired composition, thickness, and bandgap onto 3D perovskites without dissolving the underlying substrate. Characterization reveals a 3D–2D transition region of 20 nanometers mainly determined by the roughness of the bottom 3D layer. Thickness dependence of the 2D perovskite layer reveals the anticipated trends for n-i-p and p-i-n architectures, which is consistent with band alignment and carrier transport limits for 2D perovskites. Here we measured a photovoltaic efficiency of 24.5%, with exceptional stability of T 99 (time required to preserve 99% of initial photovoltaic efficiency) of >2000 hours, implying that the 3D/2D bilayer inherits the intrinsic durability of 2D perovskite without compromising efficiency.

14 SOLAR ENERGY↗
DOE OSTI2026

A New Platform for Twistronics: Perovskite Moiré Superlattices Beyond van der Waals

Moiré superlattices have reshaped condensed‐matter physics by enabling twist‐angle engineering of electronic and excitonic states, traditionally in van der Waals (vdW) systems. This Perspective focuses on perovskites as a transformative non‐van der Waals (non‐vdW) platform for twistronics. These materials are distinguished by ionic‐covalent bonding and soft octahedral lattices that support deep moiré potentials (≈100–200 meV), which in turn yield bright, room‐temperature excitons and tunable quantum phenomena. We organize recent advances into two core classes: (i) moiré superlattices constructed from 2D Ruddlesden‐Popper (RP) perovskites via spontaneous or guided twisted stacking; and (ii) moiré architectures in 3D perovskite lamellae, achieved through topotactic 2D RP‐to‐3D conversion and ligand‐induced self‐assembly. Key experimental observations in these systems include twist‐tunable moiré periods, suppressed exciton–exciton annihilation, flat band‐like transport, and ferroelectric vortex lattices in their oxide perovskite counterparts. Here, we outline key bottlenecks, including defects arising during phase conversion, stringent lattice‐matching requirements, and the absence of in situ twist metrology, and highlight opportunities in lattice‐mismatched heterostructures and multifunctional quantum‐optoelectronic devices. Collectively, these advances establish perovskite moiré systems as a critical bridge between fundamental moiré physics and room‐temperature technological applications.

2D Ruddlesden–Popper perovskites↗
DOE OSTI2025

Nonmonotonic Band Flattening near the Magic Angle of Twisted Bilayer MoTe 2

Twisted bilayer MoTe 2 (tMoTe 2 ) is an emergent platform for exploring exotic quantum phases driven by the interplay between nontrivial band topology and strong electron correlations. Direct experimental access to its momentum-resolved electronic structure is essential for uncovering the microscopic origins of the correlated topological phases therein. Here, we report angle-resolved photoemission spectroscopy measurements of tMoTe 2 , revealing pronounced twist-angle-dependent band reconstruction shaped by orbital character, interlayer coupling, and moiré potential modulation. Density functional theory captures the qualitative evolution, yet underestimates key energy scales across twist angles, highlighting the importance of electronic correlations. Notably, the hole effective mass at the 𝐾 point exhibits a nonmonotonic dependence on twist angle, peaking near 2°, consistent with band flattening at the magic angle predicted by continuum models. Via electrostatic gating and surface dosing, we further visualize the evolution of electronic structure versus doping, enabling direct observation of the conduction band minimum and confirm tMoTe 2 as a direct band gap semiconductor. These results establish a spectroscopic foundation for modeling and engineering emergent quantum phases in this moiré platform.

2D materials↗
DOE OSTI2020

High quality epitaxial thin films and exchange bias of antiferromagnetic Dirac semimetal FeSn

FeSn is a topological semimetal (TSM) and kagome antiferromagnet (AFM) composed of alternating Fe 3 Sn kagome planes and honeycomb Sn planes. This unique structure gives rise to exotic features in the band structures such as the coexistence of Dirac cones and flatbands near the Fermi level, fully spin-polarized 2D surface Dirac fermions, and the ability to open a large gap in the Dirac cone by reorienting the Néel vector. In this paper, we report the synthesis of high-quality epitaxial (0001) FeSn films by magnetron sputtering. Using FeSn/Py heterostructures, we show a large exchange bias effect that reaches an exchange field of 220 Oe at 5 K, providing unambiguous evidence of antiferromagnetism and strong interlayer exchange coupling in our films. Field cycling studies show steep initial training effects, highlighting the complex magnetic interactions and anisotropy. Importantly, our work provides a simple, alternative means to fabricate FeSn films and heterostructures, making it easier to explore the topological physics of AFM TSMs and develop FeSn-based spintronics.

36 MATERIALS SCIENCE↗