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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 55 records · Page 3

Low-thermal-budget synthesis of monolayer molybdenum disulfide for silicon back-end-of-line integration on a 200 mm platform

Two-dimensional (2D) materials are promising candidates for future electronics due to their excellent electrical and photonic properties. Although promising results on the wafer-scale synthesis (≤150 mm diameter) of monolayer molybdenum disulfide (MoS 2 ) have already been reported, the high-quality synthesis of 2D materials on wafers of 200 mm or larger, which are typically used in commercial silicon foundries, remains difficult. The back-end-of-line (BEOL) integration of directly grown 2D materials on silicon complementary metal–oxide–semiconductor (CMOS) circuits is also unavailable due to the high thermal budget required, which far exceeds the limits of silicon BEOL integration (<400 °C). This high temperature forces the use of challenging transfer processes, which tend to introduce defects and contamination to both the 2D materials and the BEOL circuits. Here we report a low-thermal-budget synthesis method (growth temperature < 300 °C, growth time ≤ 60 min) for monolayer MoS 2 films, which enables the 2D material to be synthesized at a temperature below the precursor decomposition temperature and grown directly on silicon CMOS circuits without requiring any transfer process. We designed a metal–organic chemical vapour deposition reactor to separate the low-temperature growth region from the high-temperature chalcogenide-precursor-decomposition region. We obtain monolayer MoS 2 with electrical uniformity on 200 mm wafers, as well as a high material quality with an electron mobility of ~35.9 cm 2 V -1 s -1 . Finally, we demonstrate a silicon-CMOS-compatible BEOL fabrication process flow for MoS 2 transistors; the performance of these silicon devices shows negligible degradation (current variation < 0.5%, threshold voltage shift < 20 mV). We believe that this is an important step towards monolithic 3D integration for future electronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

3D nanolithography with metalens arrays and spatially adaptive illumination

The growing demand for advanced materials, miniaturized devices and integrated microsystems calls for the reliable fabrication of complex, multiscale, three-dimensional (3D) architectures, a need increasingly addressed through light-based and laser-based processes. However, owing to the field-of-view (FOV) limitations of conventional imaging optics, existing 3D laser nanofabrication techniques face fundamental challenges in throughput, proximity error and stitching defects on the path to scaling. Here, in this study, we present a scalable 3D nanofabrication platform that uses a metalens-generated focal spot array to parallelize two-photon lithography (TPL) beyond centimetre-scale write field areas. Metalenses are ideally suited for producing submicron-scale focal spots for high-throughput nanolithography, as they uniquely feature large numerical apertures (NAs), immersion media compatibility and large-scale manufacturability. We experimentally demonstrate a printing system that uses a 12-cm 2 metalens array to produce more than 120,000 cooperative focal spots, corresponding to a throughput exceeding 10 8 voxels s −1 . By programmatically patterning the focal spot array using a spatial light modulator (SLM), an adaptive parallel printing strategy is developed for precise greyscale linewidth modulation and choreographed printing of semiperiodic and fully aperiodic 3D geometries. We demonstrate parallel printing of replicated microstructures (>50 M microparticles per day), centimetre-scale 3D architectures with feature sizes down to 113 nm, and photonic and mechanical metamaterials. This work demonstrates the potential of 3D nanolithography towards wafer-scale production, showing how TPL could be used at scale for applications in microelectronics, biomedicine, quantum technology and high-energy laser targets.

Materials science↗

Spin-on deposition of amorphous zeolitic imidazolate framework films for lithography applications

Amorphous zeolitic imidazolate framework (aZIF) films have been recently introduced as resists for electron beam and extreme ultraviolet lithography. aZIFs are also being considered for separation applications, including thin film membranes. However, the reported methods for aZIF deposition are currently based on highly empirical trial-and-error approaches that hinder control of film composition, thickness and uniformity as well as scale-up and transferability to different coating geometries. This work presents a method for depositing aZIF films with controllable thickness using dilute precursors mixed immediately before encountering the substrate. Importantly, the method is amenable to quantitative analysis by computational fluid dynamics to extract intrinsic deposition rates and limiting reactant transport diffusivities, enabling predictive physics-based modeling of the deposition process. This allows the deposition method to be adapted for spin coating on silicon wafers to prepare high-quality aZIF films with consistently controlled thickness. Using this approach, high-resolution resist performance and wafer-scale use for beyond extreme-ultraviolet lithography of aZIF films is demonstrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Assessment of wafer scale MoS 2 atomic layers grown by metal–organic chemical vapor deposition using organo-metal, organo-sulfide, and H 2 S precursors

Transition Metal Dichalcogenides (TMDs) are a unique class of materials that exhibit attractive electrical and optical properties which have generated significant interest for applications in microelectronics, optoelectronics, energy storage, and sensing. Considering the potential of these materials to impact such applications, it is crucial to develop a reliable and scalable synthesis process that is compatible with modern industrial manufacturing methods. Metal–organic chemical vapor deposition (MOCVD) offers an ideal solution to produce TMDs, due to its compatibility with large-scale production, precise layer control, and high material purity. Optimization of MOCVD protocols is necessary for effective TMD synthesis and integration into mainstream technologies. Additionally, improvements in metrology are necessary to measure the quality of the fabricated samples more accurately. In this work, we study MOCVD of wafer-scale molybdenum disulfide (MoS 2 ) utilizing two common chalcogen precursors, H 2 S and DTBS. We then develop a metrology platform for wafer scale samples quality assessment. For this, the coalesced films were characterized using Raman spectroscopy, atomic force microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Kelvin probe force microscopy. We then correlate the structural analysis of these grown films with electrical performance by using aerosol jet printing to fabricate van der Pauw test structures and assess sheet resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Imaging conductive nano-domains induced by Gd intercalation in epitaxial bilayer graphene

We report nano-infrared (IR) imaging and spectroscopy of epitaxial bilayer graphene (BLG) on silicon carbide (SiC) partially intercalated with gadolinium (Gd). Gd intercalation produces a high density of nanoscale conducting domains that exhibit pronounced IR enhancement at frequencies above the SiC phonon resonance and pronounced amplitude suppression at the resonance. Both effects originate from the increased local optical conductivity induced by Gd. Quantitative modeling of the nano-IR spectra shows that the conductivity of intercalated regions is enhanced by more than a factor of two relative to pristine BLG. This enhancement is attributed to the electronic decoupling of the graphene layers combined with substantial charge transfer from the intercalated atoms. These results demonstrate that controlled metal intercalation enables spatially resolved tuning of the electronic and optical responses of wafer-scale graphene, providing a versatile platform for graphene-based optoelectronic and nanophotonic applications.

Fralaide, Michael [Ames Laboratory, and Iowa State↗

Octave-spanning terahertz quarter-wave plates based on over-coupled Fabry–Pérot resonances in reflective metal–dielectric–metal metasurfaces

Compact devices for broadband polarization control in the terahertz (THz) regime remain challenging to realize due to the intrinsic phase dispersion associated with birefringent materials and resonant structures. Here, we demonstrate achromatic THz quarter-wave plates with near-unity efficiency and operating under a wide range of incidence angles, based on over-coupled metal–dielectric–metal reflective metasurfaces. The devices operate as single-port anisotropic Fabry–Pérot cavities, in which the phase dispersion of the over-coupled resonances is engineered to maintain an approximately constant relative phase delay between orthogonal field components over a broad frequency range. Four complementary metasurface designs operating at an incidence angle of 45° collectively cover the 0.25–3 THz frequency range accessible to a typical THz time-domain spectroscopy system. Each device exhibits an approximately octave-wide operational bandwidth, with axial ratios below 3 dB and polarization-conversion efficiencies exceeding 80% across most of the operating band. Systematic structural optimization suppresses coupling to diffraction and guided-wave modes, thereby further extending the usable bandwidth while preserving the required phase relationship between orthogonal polarizations. The demonstrated metasurfaces are compatible with wafer-scale fabrication processes, and experimental results show excellent agreement with simulations. These findings establish over-coupled reflective metasurfaces as a robust, scalable, and versatile platform for broadband THz polarization control.

36 MATERIALS SCIENCE↗

Enhanced ferromagnetism in monolayer Cr 2 Te 3 via topological insulator coupling

Exchange-coupled interfaces are pivotal in exploiting two-dimensional (2D) ferromagnetism. Due to the extraordinary correlations among charge, spin, orbital and lattice degrees of freedom, layered magnetic transition metal chalcogenides (TMCs) bode well for exotic topological phenomena. Here we report the realization of wafer-scale Cr 2 Te 3 down to monolayer (ML) on insulating SrTiO 3 (111) and/or Al 2 O 3 (001) substrates using molecular beam epitaxy. Robust ferromagnetism persists in the 2D limit. In particular, the Curie temperature T C of 2 ML Cr 2 Te 3 increases from 100 K to ∼120 K when proximitized to topological insulator (TI) (Bi,Sb) 2 Te 3 , with substantially boosted magnetization as observed via polarized neutron reflectometry. Our experiments and theory strongly indicate that the Bloembergen–Rowland interaction is likely universal underlying T C enhancement in TI-coupled magnetic heterostructures. The topological-surface-enhanced magnetism in 2D TMC enables further exchange coupling physics and quantum hybrid studies, including paving the way to realize interface-modulated topological electronics.

36 MATERIALS SCIENCE↗

Treatment and aging studies of GaAs(111)B substrates for van der Waals chalcogenide film growth

GaAs(111)B are commercially available substrates widely used for the growth of van der Waals chalcogenide films. Wafer-scale, high-quality crystalline films can be deposited on GaAs(111)B substrates using molecular beam epitaxy. However, two obstacles persist in the use of GaAs(111)B: first, the surface dangling bonds make it challenging for the growth of van der Waals materials; second, the As-terminated surface is prone to aging in air. This study investigated a thermal treatment method for deoxidizing GaAs(111)B substrates while simultaneously passivating the surface dangling bonds with Se. By optimizing the treatment parameters, we obtained a flat and completely deoxidized platform for subsequent film growth, with highly reproducible operations. Furthermore, through first-principle calculations, we find that the most energetically favorable surface of GaAs(111)B after Se passivation consists of 25% As atoms and 75% Se atoms. Finally, we discovered that the common storage method using food-grade vacuum packaging cannot completely prevent substrate aging, and even after thermal treatment, aging still affects subsequent growth. Therefore, we recommend using N2-purged containers for better preservation.

Engineering↗

Interface-induced superconductivity in magnetic topological insulators

The interface between two different materials can show unexpected quantum phenomena. Here, in this study, we used molecular beam epitaxy to synthesize heterostructures formed by stacking together two magnetic materials, a ferromagnetic topological insulator (TI) and an antiferromagnetic iron chalcogenide (FeTe). We observed emergent interface-induced superconductivity in these heterostructures and demonstrated the co-occurrence of superconductivity, ferromagnetism, and topological band structure in the magnetic TI layer—the three essential ingredients of chiral topological superconductivity (TSC). The unusual coexistence of ferromagnetism and superconductivity is accompanied by a high upper critical magnetic field that exceeds the Pauli paramagnetic limit for conventional superconductors at low temperatures. These magnetic TI/FeTe heterostructures with robust superconductivity and atomically sharp interfaces provide an ideal wafer-scale platform for the exploration of chiral TSC and Majorana physics.

36 MATERIALS SCIENCE↗

36 Hz integral linewidth laser based on a photonic integrated 4.0 m coil resonator

Laser stabilization sits at the heart of many precision scientific experiments and applications, including quantum information science, metrology, and atomic timekeeping. Many of these systems narrow the laser linewidth and stabilize the carrier by use of Pound–Drever–Hall (PDH) locking to a table-scale, ultrahigh quality factor (Q), vacuum spaced Fabry–Perot reference cavity. Integrating these cavities to bring characteristics of PDH stabilization to the chip scale is critical to reducing their size, cost, and weight, and enabling a wide range of portable and system-on-chip applications. We report a significant advance in integrated laser linewidth narrowing, stabilization, and noise reduction by use of a photonic integrated 4.0 m long coil resonator to stabilize a semiconductor laser. We achieve a 36 Hz 1 / π <#comment/> -integral linewidth, Allan deviation of 1.8 × <#comment/> 10 − <#comment/> 13 at 10 ms measurement time, and a 2.3 kHz/s drift—to the best of our knowledge, the lowest integral linewidth and highest stability demonstrated for an integrated waveguide reference cavity. This performance represents over an order of magnitude improvement in integral linewidth and frequency noise over previous integrated waveguide PDH stabilized reference cavities and bulk-optic and integrated injection locked approaches, and over two orders of magnitude improvement in frequency and phase noise than integrated injection locked approaches. Two different wavelength coil designs are demonstrated, stabilizing lasers at 1550 nm and 1319 nm. The resonator is bus-coupled to a 4.0 m long coil, with a 49 MHz free spectral range, mode volume of 1.0 × <#comment/> 10 10 µ <#comment/> m 3 , and 142 million intrinsic Q , fabricated in a CMOS compatible, ultralow loss silicon nitride waveguide platform. Our measurements and simulations show that the thermorefractive noise floor for this particular cavity is reached for frequencies down to 20 Hz in an ambient environment with simple passive vibration isolation and without vacuum or thermal isolation. The thermorefractive noise limited performance is estimated to yield an 8 Hz 1 / π <#comment/> -integral linewidth and Allan deviation of 5 × <#comment/> 10 − <#comment/> 14 at 10 ms, opening a stability regime that heretofore has been available only in fundamentally non-integrated systems. These results demonstrate the potential to bring the characteristics of laboratory-scale stabilized lasers to the integrated, wafer-scale compatible chip scale, and are of interest for a number of applications in quantum technologies and atomic, molecular, and optical physics, and with further developments below 10 Hz linewidth, can be highly relevant to ultralow noise microwave generation.

Liu, Kaikai (ORCID:0000000213609646)↗

Scaling comb-driven resonator-based DWDM silicon photonic links to multi-Tb/s in the multi-FSR regime

The use of chip-based micro-resonator Kerr frequency combs in conjunction with dense wavelength-division multiplexing (DWDM) enables massively parallel intensity-modulated direct-detection data transmission with low energy consumption. Resonator-based modulators and filters used in such systems can limit the number of usable wavelength channels due to practical constraints on the maximum achievable free spectral range (FSR). In this work, we introduce the design of multi-Tb/s comb-driven resonator-based silicon photonic links by leveraging the multi-FSR regime. We demonstrate the viability of the link architecture with yield estimates that are supported by extensive wafer-scale measurements of 704 micro-resonators fabricated in a commercial complementary metal–oxide–semiconductor foundry. We show that a 2.80 Tb/s link is realizable with a ≥6 σ yield (∼99.999%), and that aggregate bandwidths of 3.76 Tb/s and 4.72 Tb/s are possible if yield targets are relaxed (3 σ and 1 σ , respectively). All designs represent a 1.94−3.28× boost to aggregate link bandwidth while maintaining BER≤10 −10 performance, with a theoretical bandwidth of 10.51 Tb/s being possible for sufficiently robust resonators. We use high-speed BER measurements to inform co-optimization of data rate and aggressor spacing ( λ ag ), limiting any additional loss-based power penalties to off-resonance insertion loss (IL) and routing loss. This work demonstrates that, through the multi-FSR regime, there is a clear path toward Kerr comb-driven ultra-broadband, high bandwidth silicon photonic links that can support next-generation data centers and high-performance computers.

James, Aneek (ORCID:0000000262527807)↗

Atomic Force Microscope Active Optical Probe for Single-Molecule Imaging and Time-Resolved Optical Spectroscopy (DOE SBIR Phase II/IIA Final Report)

Actoprobe LLC reports on the results of its DOE SBIR Phase II/IIA project on the development of Atomic Force Microscope Active Optical Probe for Single-Molecule Imaging and Time-Resolved Optical Spectroscopy. While chemistry science and technology greatly benefit from Atomic Force Microscopy in surface characterization, time-resolved chemical imaging on the single-molecule level lags far behind. Current scanning probe microscopy only obtains information about mechanical but not optical/chemical properties. To address this problem, the Actoprobe LLC research team has proposed a novel class of Atomic Force Microscopy probes, Ultra-Fast Pulsed Active Atomic Force Microscopy Optical Probes (UFP AAOPs), that will allow ultrafast time-resolved optical and chemical imaging at the nanoscale. As envisioned, these unique optical probes will perform the functions of conventional Atomic Force Microscopy probes and, in addition, will simultaneously provide chemical information about molecular scale interactions. This innovation is accomplished by integrating an ultrafast pulsed Quantum Dot laser source into an Atomic Force Microscopy probe. This report describes our progress with the fabrication of an ultrafast micrometer-size semiconductor laser, based on “artificial atoms” - Quantum Dots, integrated with an Atomic Force Microscopy probe. In this Phase II/IIA project, we have demonstrated the feasibility of the UFP AAOP concept by fabricating a first prototype of the UFP AAOP. The excellent performance of the probe has been proven in terms of AFM and optical spatial resolution through rigorous tests. The UFP AAOP provides pulses with less than 4 ps duration and higher than 11 GHz repetition rate, and spatial resolution better than 300 nm at 1240 nm wavelength. Technically, it is possible to reduce the pulse width to less than 1 ps and to improve lateral resolution to ~ 0.5 nm, which implies the potential capability for the probe to characterize chemical compounds with single-molecule resolution. The UFP AAOP fabrication procedure has been developed for wafer-scale production of multiple devices, with the yield of the process estimated to be lower than 1% with the limited fabrication capabilities and equipment available for use in the research project. However, using high-volume production tools and special GaAs processing equipment, the yield can be significantly improved, theoretically to ~ 50%. Finally, economic feasibility and scale-up manufacturing potential were analyzed for UFP AAOP and found to be very promising. In summary, the Actoprobe team has successfully demonstrated the feasibility of the UFP AAOP concept.

36 MATERIALS SCIENCE↗

Multiplication of Freestanding Compound Semiconductor Membranes from a Single Wafer by Alternating Growth with 2D Materials

Single-crystal compound semiconductors, such as III-N and III-V, are important building blocks for functional devices due to their high electron mobilities, wide range of bandgaps, and excellent optoelectronic properties. However, current methods to produce their freestanding membranes for heterointegration suffer from slow processes or poor material quality. Here, we demonstrate an approach to grow and harvest multiple wafer-scale single-crystal membranes with high throughput by introducing weak van der Waals interfaces between epitaxial layers. This is achieved by directly growing two-dimensional (2D) materials on compound semiconductors in their native deposition systems, which enables alternating growth of 2D material and compound semiconductor epitaxial layers in a single run. Each epilayer in the multi-stack structure is then sequentially harvested by mechanical exfoliation, producing multiple freestanding single-crystal membranes with extremely high throughput from a single wafer, primed for integration in mixed-dimensional heterostructures.

Han, Ne Myo↗

Multiplication of Freestanding Compound Semiconductor Membranes from a Single Wafer by Alternating Growth with 2D Materials

Single-crystal compound semiconductors, such as III-N and III-V, are important building blocks for functional devices due to their high electron mobilities, wide range of bandgaps, and excellent optoelectronic properties. However, current methods to produce their freestanding membranes for heterointegration suffer from slow processes or poor material quality. Here, we demonstrate an approach to grow and harvest multiple wafer-scale single-crystal membranes with high throughput by introducing weak van der Waals interfaces between epitaxial layers. This is achieved by directly growing two-dimensional (2D) materials on compound semiconductors in their native deposition systems, which enables alternating growth of 2D material and compound semiconductor epitaxial layers in a single run. Each epilayer in the multi-stack structure is then sequentially harvested by mechanical exfoliation, producing multiple freestanding single-crystal membranes with extremely high throughput from a single wafer, primed for integration in mixed-dimensional heterostructures.

Han, Ne Myo↗

2D Amorphous Carbon Dielectric Prepared from Solution Precursor for Nanoelectronics

The preparation of amorphous 2D nanodielectrics represents a major challenge due to the metastable nature of amorphous phases. We describe a scalable and solution-based strategy to prepare wafer-scale 2D amorphous carbon with thickness down to 1–2 atomic layers from coal-derived carbon quantum dots as precursors. The prepared atomically thin 2D amorphous carbon can be suspended over cavities as freestanding membranes with high modulus of 400±100 GPa and demonstrate robust dielectric properties with dielectric strength above 20 MV·cm-1 and leakage current density below 10-4 A·cm-2 through a scaled thickness of three-atomic layers. When implemented as ultrathin gate dielectrics in 2D transistors or ion-transport media in memristors, they enable exceptional device performance and spatiotemporal uniformity, resulting from their amorphous form, intrinsic ultrathinness, and 2D atomic structures.

Pham, Viet Hung↗

Solution-Based Synthesis of Ultrathin Quasi-2D Amorphous Carbon for Nanoelectronics

The synthesis of ultrathin 2D amorphous dielectric film represents a major challenge due to the metastable nature of amorphous phases. We describe a scalable and solution-based strategy to prepare wafer-scale 2D amorphous carbon with thickness down to 1–2 atomic layers from coal-derived carbon quantum dots as precursors. The prepared atomically thin 2D amorphous carbon can be suspended over cavities as freestanding membranes with high modulus of 400±100 GPa and demonstrate robust dielectric properties with dielectric strength above 20 MV·cm-1 and leakage current density below 10-4 A·cm-2 through a scaled thickness of three-atomic layers. When implemented as ultrathin gate dielectrics in 2D transistors or ion-transport media in memristors, they enable exceptional device performance and spatiotemporal uniformity, resulting from their amorphous form, intrinsic ultrathinness, and 2D atomic structures.

Pham, Viet Hung [NETL Site Support Contractor, Nat↗

Keeping LAMMPS cutting edge

Since its inception 30 years ago, LAMMPS has grown to be a world-class molecular dynamics code and a cornerstone of computational materials science research. This project aimed to keep LAMMPS at the forefront of molecular dynamics simulations by adapting LAMMPS to the latest developments in machine learning technology and hardware. Initially, the project set out to provide a unified implementation of active learning for efficient training data generation in LAMMPS, but the research trajectory pivoted to address more immediate and impactful opportunities. On the hardware side, recent record-breaking molecular dynamics simulations were developed on the Cerebras wafer-scale AI chip, and this project has developed an interface between LAMMPS and the hardware-specific molecular dynamics code to accelerate and simplify development and user adoption. On the software side, PyTorch’s Ahead-of-Time (AOT) compilation features promised increased performance for state-of-the-art equivariant neural network potentials, and this project laid the groundwork for their adoption in LAMMPS, resulting in a nearly 20x acceleration in extreme cases. Combined with a comprehensive benchmark study of LAMMPS across all current exascale systems, this project has reinforced LAMMPS’s role as a versatile, high-performance tool for current and future materials science applications.

36 MATERIALS SCIENCE↗