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DOE OSTI2025

Spectroscopic evidence of intra-unit-cell charge redistribution in a charge-neutral magnetic topological insulator

The magnetic topological insulator MnBi 6 Te 10 has emerged as a promising candidate for realizing the quantum anomalous Hall effect (QAHE), owing to its ability to retain ferromagnetism through precise control of anti-site defects. The next important task for realizing the QAHE is to tune the chemical potential into the energy gap formed by the broken time-reversal symmetry. Here we reveal an intra-unit-cell charge redistribution even when the overall doping suggests a near-charge-neutral condition. By performing time- and angle-resolved photoemission spectroscopy (trARPES) on the optimally 18% Sb-doped MnBi 6 Te 10 , we observe transient surface photovoltage (SPV) effects on both the MnBi 2 Te 4 and single-Bi 2 Te 3 terminations. Furthermore, we observe a time-dependent splitting of the band structure indicating multiple SPV shifts with different magnitudes. This observation suggests that adjacent plateaus with nominally the same terminating layer exhibit a strong intra-unit-cell charge redistribution, resulting in spontaneous electrical polarization. This is consistent with static micro-ARPES measurements revealing significant doping deviations from the charge-neutral configuration. Our findings underscore the challenges of engineering the family of Mn-Bi-Te materials to realize QAHE purely through chemical doping. Achieving the desired topological quantum phase requires both a uniform carrier doping and a ferromagnetic ground state. Furthermore, the light-induced polarization within each unit cell of ferromagnetic Mn(Bi 0.82 Sb 0.18 ) 6 Te 10 may open new possibilities for optoelectronic and spintronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

Fractional Quantum Anomalous Hall Effect

The realization of the fractional quantum anomalous Hall effect (FQAHE) in a zero-field fractional Chern insulator is a new advancement in condensed matter physics, resulting from the interplay among strong correlations, topology, and spontaneous time-reversal symmetry breaking in lattice systems. In this review, we highlight the experimental and theoretical progress toward achieving FQAHE in two material platforms: twisted bilayer MoTe 2 and rhombohedral-stacked multilayer graphene. These systems host narrow topological bands with nontrivial Chern numbers, enabling interaction-driven fractionalized states analogous to the fractional quantum Hall effect, but without external magnetic fields. We discuss how spontaneous ferromagnetism, moiré lattice reconstruction, and band topological effects underpin the emergence of FQAHE in twisted MoTe 2 . We describe experimental discoveries of zero-field fractional Chern insulators in both transport and optical experiments, as well as signatures of composite Fermi liquids and higher-energy Chern band, which may shed light on engineering nonabelian states. In rhombohedral graphene/hexagonal boron nitride moiré superlattices, we review the recent observations of fractionally quantized Hall resistance, connections between FQAHE and extended quantum anomalous Hall phases, and the coexistence of superconductivity and FQAHE. Furthermore, these discoveries not only deepen our understanding of strongly correlated topological matter but also open new frontiers for exploring nonabelian anyons, fault-tolerant quantum computation, and topological opto-spintronics free of magnetic fields.

bilayer↗

DOE OSTI2026

Spectral and small-signal electroluminescence analysis of carrier dynamics in dual-color InGaN/GaN light-emitting diodes

Here, we study carrier transport, distribution, and recombination in dual-color c-plane InGaN/GaN LEDs using spectral analysis and small-signal electroluminescence (SSEL). The emissions from green and blue quantum wells (QWs) were experimentally separated and analyzed. Spectral analysis and SSEL independently demonstrate that emission from the green QW is dominant at low current densities, consistent with its narrower bandgap, while emission from the blue QW is more significant at higher current densities, consistent with its reduced quantum confined Stark effect and larger wavefunction overlap. In addition, we demonstrate that the carrier recombination in the QWs is non-uniform, with carrier transport dramatically affecting the carrier distribution between QWs and the recombination in a specific QW. Finally, our measurements suggest that the effective active region contributing most strongly to radiative recombination corresponds to approximately two to three QWs on the p-GaN side, indicating limited carrier transport to more distant QWs in the structures studied.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Thermal Properties of Polymer Hole-Transport Layers Influence the Efficiency Roll-off and Stability of Perovskite Light-Emitting Diodes

While the performance of metal halide perovskite light-emitting diodes (PeLEDs) has rapidly improved in recent years, their stability remains a bottleneck to commercial realization. Here, we show that the thermal stability of polymer hole-transport layers (HTLs) used in PeLEDs represents an important factor influencing the external quantum efficiency (EQE) roll-off and device lifetime. We demonstrate a reduced EQE roll-off, a higher breakdown current density of approximately 6 A cm -2 , a maximum radiance of 760 W sr -1 m -2 , and a longer device lifetime for PeLEDs using polymer HTLs with high glass-transition temperatures. Furthermore, for devices driven by nanosecond electrical pulses, a record high radiance of 1.23 MW sr -1 m -2 and an EQE of approximately 1.92% at 14.6 kA cm -2 are achieved. Thermally stable polymer HTLs enable stable operation of PeLEDs that can sustain more than 11.7 million electrical pulses at 1 kA cm -2 before device failure.

14 SOLAR ENERGY↗

DOE OSTI2022

Interdigitated electrode geometry variation and external quantum efficiency of GaN/AlGaN-based metal-semiconductor-metal UV photodetectors

Aluminum gallium-nitride (Al x Ga 1–x N)-based metal–semiconductor–metal (MSM) ultraviolet photodetectors photodetectors (PD’s) have been successfully designed and fabricated using conventional photolithography techniques and tested experimentally to study their spectral sensitivity across different Al content, x, with x varying from 0 to 0.3. (Al)GaN-based UV PD’s have wide and tunable direct band gaps. The ability to easily select the photodetected wavelength by simply varying the aluminum content of GaN thin film (Al x Ga 1–x N) is a significant advantage of these group III–V compounds. Typically, MSM PD’s grown on (Al)GaN thin films result in ultrafast photodetection because of their highly mobile carriers. These devices are limited by the carrier transit time due to the negligible capacitance presented by the interdigitated fingers. Various electrode geometries were fabricated to investigate the influence of metal contact shapes on the devices’ performance indices with emphasis on the response speed and bias-voltage–independent efficiency. Here, coupled with the independently measured Hall mobility and electric field, we computed the carrier transit time of the devices to be as short as 1.31 ps and the bias-voltage–independent external quantum efficiencies were as high as 70% at 60 V for n-doped and intrinsic devices when operated in the reverse bias regime. Here, (Al x )Ga 1–x N photodetectors were designed to explore spectral sensitivity by altering x from 0 to 0.3.

42 ENGINEERING↗

DOE OSTI2024

Isolation of Single Donors in ZnO

The shallow donor in zinc oxide (ZnO) is a promising semiconductor spin qubit with optical access. Single indium donors are isolated in a commercial ZnO substrate using plasma focused ion beam (PFIB) milling. Quantum emitters are identified optically by spatial and frequency filtering. The indium donor assignment is based on the optical bound exciton transition energy and magnetic dependence. The emission stability of these single donors in terms of both intensity and frequency, alongside their transition linewidths less than twice the lifetime limit, highlight the promise of single In donors as optically accessible spin qubits. Here, the optical stability of single donors after FIB fabrication is promising for optical device integration required for scalable quantum technologies based on single donors in direct band gap semiconductors.

42 ENGINEERING↗

DOE OSTI2025

Probing Surface Plasmon Dynamics in Periodic Nanostructures through Ultrafast Electron Microscopy

Surface plasmon polaritons (SPPs) can be manipulated to localize and guide light in subwavelength distances, enabling them to find applications in a wide range of areas, from sensing to quantum computing. Among several methods of SPP excitation, periodic arrays of nano- and microstructures are of particular interest, as they enable engineering SPP properties through structural parameters. Here, in this study, using the photon-induced near-field electron microscopy (PINEM) technique, we investigated the mode formation, coupling, interference, and decay of SPPs in square and hexagonal arrays of circular nanoholes under both visible and near-infrared excitation. Polarization-resolved analysis revealed the key factors governing SPP localization and interference patterns, showing that the periodicity and symmetry of the array primarily determine the SPP interference patterns and their orientation, while pump polarization mainly modulates their intensity. Time-resolved PINEM measurements demonstrated the spatial dependence of the SPP temporal characteristics. In addition, cathodoluminescence (CL) spectroscopy was employed to examine the intrinsic plasmonic characteristics of the structure. Finite difference time domain (FDTD) simulations showed strong agreement with both PINEM and CL measurements on the spatial and spectral behavior of SPPs. Understanding the spatiotemporal dynamics of SPPs on nanostructures beyond the diffraction limit is crucial for optimizing plasmonic structures for advanced photonic and quantum technologies.

Plasmonics↗

DOE OSTI2025

Efficiency droop contributors in InGaN green light emitting diodes

Here, efficiency droop contributors (i.e., inherent Auger–Meitner recombination, polarization-induced effects, thermal effects, and light extraction) in InGaN green light emitting diodes (LEDs) are decoupled and quantified. First, a modified ABC model is developed, and external quantum efficiency measurements are taken under constant and pulsed currents (⁠ EQE Constant and EQE Pulsed ⁠, respectively). The LED internal quantum efficiency with and without thermal effects (⁠ IQE$^{ABC}_{Constant}$ and IQE$^{ABC}_{Pulsed}$⁠, respectively) is extracted using the modified model. Then, using Raman spectroscopy, the LED junction temperature is extracted. Finally, using the optical-electrical model (OEM), the polarization- and temperature-independent LED internal quantum efficiency (⁠ IQE OEM ) is calculated from the modified ABC model and the extracted junction temperature. By comparing external (⁠ EQE Constant ⁠) and the three internal quantum efficiencies (⁠ IQE$^{ABC}_{Constant}$, IQE$^{ABC}_{Pulsed}$⁠, and IQE OEM ), the impacts of inherent Auger–Meitner recombination, polarization-induced effects, thermal effects, and light extraction on the efficiency droop are decoupled and quantified. It is found that inherent Auger–Meitner recombination-induced droop is approximately 49% of the total efficiency droop in commercial green LEDs, while polarization-induced effects contribute about 35%, and thermal droop accounts for nearly 16%. Lastly, these findings suggest, to quash the green gap, it is critical to search for materials and device designs with low inherent Auger–Meitner coefficients and polarization fields, respectively.

42 ENGINEERING↗

DOE OSTI2023

Symposium: Quantum Theory, Quantum Materials, Quantum Computing (Final Report, DE-SC0022551)

Quantum mechanics is fundamental to understanding, predicting, and controlling many physical processes in a vast range of scientific and technological areas. In molecules and materials, the quantum mechanics of Coulombic many-body systems determines far more than the ground state and bulk properties. Quantum mechanics governs magnetism, electron and spin transport, chemical reactions and catalysis, superconductivity, photosynthesis, etc. Each plays a vital role in modern society. As digital technologies push both temporal and length-scale limits, fundamental quantum principles become the current focus for a new class of technologies: quantum computing, quantum sensing, quantum encryption, etc. This oncoming quantum information sciences wave is manifest recently in frontier foci of all six Department of Energy Office of Science programs. The Sanibel Symposium offers a proven, influential platform for facilitating and advancing cross-fertilization among theoretical and computational chemists and physicists, computer scientists, and materials engineers. The Symposia have a long, successful record of driving progress on theory and computation of materials, nanostructures, and their molecular constituents. The Symposia thus are well-suited for advancing the quantum information science thrust in the Office of Basic Energy Sciences (BES). With that QIS thrust as the focus, we propose five sessions of the 61st Sanibel Symposium on the theme Quantum Theory, Quantum Materials, Quantum Computing. From a longer perspective, this thematic program for 2022 is the second year of a five year plan of program segments addressed at challenges in quantum information sciences and quantum materials. The rest of the Symposium program will be of considerable relevance, with, for example, sessions on quantum molecular and material dynamics, and new directions in coupled cluster theory. New ideas for methods and applications can be expected to emerge from the stimulus of the formal presentations and informal discussions. The proposed award is targeted at students, post-docs, and junior scientists. Conscious effort, characteristic of the Sanibel Symposia, to stimulate the participation of women and under-represented minorities will continue.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Site Mixing for Engineering Magnetic Topological Insulators

The van der Waals compound, MnBi 2 Te 4 , is the first intrinsic magnetic topological insulator, providing a materials platform for exploring exotic quantum phenomena such as the axion insulator state and the quantum anomalous Hall effect. However, intrinsic structural imperfections lead to bulk conductivity, and the roles of magnetic defects are still unknown. With higher concentrations of the same types of magnetic defects, the isostructural compound MnSb 2 Te 4 is a better model system for a systematic investigation of the connections among magnetism, topology, and lattice defects. In this work, the impact of antisite defects on the magnetism and electronic structure is studied in MnSb 2 Te 4 . Mn-Sb site mixing leads to complex magnetic structures and tunes the interlayer magnetic coupling between antiferromagnetic and ferromagnetic. The detailed nonstoichiometry and site mixing of MnSb2Te4 crystals depend on the growth parameters, which can lead to ≈40% of Mn sites occupied by Sb and ≈15% of Sb sites by Mn in as-grown crystals. Single-crystal neutron diffraction and electron microscopy studies show nearly random distribution of the antisite defects. Band structure calculations suggest that the Mn-Sb site mixing favors a ferromagnetic interlayer coupling, consistent with experimental observation, but is detrimental to the band inversion required for a nontrivial topology. Overall, our results suggest a long-range magnetic order of Mn ions sitting on Bi sites in MnBi 2 Te 4 . The effects of site mixing should be considered in all layered heterostructures that consist of alternating magnetic and topological layers, including the entire family of MnTe(Bi 2 Te 3 )n, its Sb analogs, and their solid solution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Engineering Ultrathin Alloy Shell in Au@AuPd Core-Shell Nanoparticles for Efficient Plasmon-Driven Photocatalysis

Bimetallic core-shell nanoparticles (NPs) possessing a synergetic coupling of plasmonic and catalytic metals have emerged as promising prototypes for efficient plasmon-driven photocatalysis. Here, Au@AuPd core-shell NPs composed of Au core NP and ultrathin AuPd shell are introduced to acquire improved light utilization efficiency in photocatalytic selective oxidation. With systematical control of the composition of the ultrathin alloy shell, it reveals that the Au@AuPd core-shell NPs with 10 at% Pd (in the single-atom alloy regime) is an effective nanostructure capable of maximizing the quantum yield of plasmon-induced light absorption and optimizing the surface electronic structure for catalytic reactions. This controlled system provides new insights into shell engineering for enhancing photocatalytic performance via the regulation of energy funneling processes in core-shell nanocatalysts.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Structural Phase Separation and Enhanced Superconductivity in La 1.875 Ba 0.125 CuO 4 Under Uniaxial Strain

Strain engineering has attracted significant attention in recent years due to its capability in tuning lattice and electronic structures of quantum materials. Using moderate uniaxial compressive strain, structural phase separation is induced in the low-temperature phase of x = 1/8 La 2-x Ba x CuO 4 (LBCO) single crystals. These structures are low temperature tetragonal (LTT), low temperature less orthorhombic (LTLO), and a plastically deformed nano-domain structure (PDNS), comprised of few-nanometer-sized orthorhombic domains within an amorphous matrix. These three structures exhibit distinct superconducting behaviors. The volume fraction of the LTT structure is suppressed with increasing strain, while its superconducting transition temperature increases and broadens. The LTLO structure exhibits a sharp superconducting transition above 32 K, which increases up to ≈ 36 K at maximum strain. The PDNS phase exhibits a very broad superconducting transition and persists even after removing the strain. This study illustrates the sensitivity of superconductivity to the structure of the LBCO sample near its stripe instability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Controllable Thin‐Film Approaches for Doping and Alloying Transition Metal Dichalcogenides Monolayers

Abstract Two‐dimensional (2D) transition metal dichalcogenides (TMDs) exhibit exciting properties and versatile material chemistry that are promising for device miniaturization, energy, quantum information science, and optoelectronics. Their outstanding structural stability permits the introduction of various foreign dopants that can modulate their optical and electronic properties and induce phase transitions, thereby adding new functionalities such as magnetism, ferroelectricity, and quantum states. To accelerate their technological readiness, it is essential to develop controllable synthesis and processing techniques to precisely engineer the compositions and phases of 2D TMDs. While most reviews emphasize properties and applications of doped TMDs, here, recent progress on thin‐film synthesis and processing techniques that show excellent controllability for substitutional doping of 2D TMDs are reported. These techniques are categorized into bottom–up methods that grow doped samples on substrates directly and top–down methods that use energetic sources to implant dopants into existing 2D crystals. The doped and alloyed variants from Group VI TMDs will be at the center of technical discussions, as they are expected to play essential roles in next‐generation optoelectronic applications. Theoretical backgrounds based on first principles calculations will precede the technical discussions to help the reader understand each element's likelihood of substitutional doping and the expected impact on the material properties.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Epitaxial Regrowth and Hole Shape Engineering for Photonic Crystal Surface Emitting Lasers (PCSELs)

In the present research, epitaxial regrowth by molecular beam epitaxy (MBE) is investigated as a fabrication process for void-semiconductor photonic crystal (PhC) surface emitting lasers (PCSELs). The PhC is patterned by electron beam lithography (EBL) and inductively coupled plasma (ICP) etch and is subsequently regrown by molecular beam epitaxy to embed a series of voids in bulk semiconductor. Experiments are conducted to investigate the effects of regrowth on air-hole morphology. The resulting voids have a distinct teardrop shape with the radius and depth of the etched hole playing a very critical role in the final regrown void’s dimensions. We demonstrate that specific hole diameters can encourage deposition to the bottom of the voids or to their sidewalls, allowing us to engineer the shape of the void more precisely as is required by the PCSEL design. A 980 nm InGaAs quantum well laser structure is optimized for low threshold lasing at the design wavelength and full device structures are patterned and regrown. An optically pumped PCSEL is demonstrated from this process.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Deterministic fabrication of highly reproducible monochromatic quantum emitters in hexagonal boron nitride

Quantum emitters in hexagonal boron nitride are important room temperature single-photon sources. However, conventional fabrication methods yield quantum emitters with dispersed and inconsistent spectral profiles, limiting their potential for practical quantum applications, which demand reproducible high quality single-photon sources. Here, we report the deterministic creation of highly reproducible monochromatic quantum emitters by applying carbon-ion implantation on freestanding hexagonal boron nitride flakes, while a carbon mask with suitable thickness was adapted to optimize the implantation results. Quantum emitters fabricated using this approach exhibited thermally limited monochromaticity, with an emission center wavelength of 590.7 ± 2.7 nm, a narrow full width at half maximum of 7.1 ± 1.7 nm, an emission rate of 1 MHz without optical engineering, and exceptional stability under ambient conditions. Density functional theory calculations and scanning transmission electron microscopy suggest that these emitters are comprised of boron centered carbon tetramers. This method provides a reliable single-photon source for optical quantum computing and potential future industry-scale applications.

Hua, Muchuan [Argonne National Laboratory (ANL), A↗

DOE OSTI2022

Spectral Filtering Induced by Non-Hermitian Evolution with Balanced Gain and Loss: Enhancing Quantum Chaos

Here, the dynamical signatures of quantum chaos in an isolated system are captured by the spectral form factor, which exhibits as a function of time a dip, a ramp, and a plateau, with the ramp being governed by the correlations in the level spacing distribution. While decoherence generally suppresses these dynamical signatures, the nonlinear non-Hermitian evolution with balanced gain and loss (BGL) in an energy-dephasing scenario can enhance manifestations of quantum chaos. In the Sachdev-Ye-Kitaev model and random matrix Hamiltonians, BGL increases the span of the ramp, lowering the dip as well as the value of the plateau, providing an experimentally realizable physical mechanism for spectral filtering. The chaos enhancement due to BGL is optimal over a family of filter functions that can be engineered with fluctuating Hamiltonians.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2010

NASA Tech Briefs, May 2010

Topics covered include: Instrument for Analysis of Greenland's Glacier Mills Cryogenic Moisture Apparatus; A Transportable Gravity Gradiometer Based on Atom Interferometry; Three Methods of Detection of Hydrazines; Crossed, Small-Deflection Energy Analyzer for Wind/Temperature Spectrometer; Wavefront Correction for Large, Flexible Antenna Reflector; Novel Micro Strip-to-Waveguide Feed Employing a Double-Y Junction; Thin-Film Ferro Electric-Coupled Microstripline Phase Shifters With Reduced Device Hysteresis; Two-Stage, 90-GHz, Low-Noise Amplifier; A 311-GHz Fundamental Oscillator Using InP HBT Technology; FPGA Coprocessor Design for an Onboard Multi-Angle Spectro-Polarimetric Imager; Serrating Nozzle Surfaces for Complete Transfer of Droplets; Turbomolecular Pumps for Holding Gases in Open Containers; Triaxial Swirl Injector Element for Liquid-Fueled Engines; Integrated Budget Office Toolbox; PLOT3D Export Tool for Tecplot; Math Description Engine Software Development Kit; Astronaut Office Scheduling System Software; ISS Solar Array Management; Probabilistic Structural Analysis Program; SPOT Program; Integrated Hybrid System Architecture for Risk Analysis; System for Packaging Planetary Samples for Return to Earth; Offset Compound Gear Drive; Low-Dead-Volume Inlet for Vacuum Chamber; Simple Check Valves for Microfluidic Devices; A Capillary-Based Static Phase Separator for Highly Variable Wetting Conditions; Gimballing Spacecraft Thruster; Finned Carbon-Carbon Heat Pipe with Potassium Working Fluid; Lightweight Heat Pipes Made from Magnesium; Ceramic Rail-Race Ball Bearings; Improved OTEC System for a Submarine Robot; Reflector Surface Error Compensation in Dual-Reflector Antennas; Enriched Storable Oxidizers for Rocket Engines; Planar Submillimeter-Wave Mixer Technology with Integrated Antenna; Widely Tunable Mode-Hop-Free External-Cavity Quantum Cascade Laser; Non-Geiger-Mode Single-Photon Avalanche Detector with Low Excess Noise; Using Whispering-Gallery-Mode Resonators for Refractometry; RF Device for Acquiring Images of the Human Body; Reactive Collision Avoidance Algorithm; Fast Solution in Sparse LDA for Binary Classification; Modeling Common-Sense Decisions in Artificial Intelligence; Graph-Based Path-Planning for Titan Balloons; Nanolaminate Membranes as Cylindrical Telescope Reflectors; Air-Sea Spray Airborne Radar Profiler Characterizes Energy Fluxes in Hurricanes; Large Telescope Segmented Primary Mirror Alignment; and Simplified Night Sky Display System.

Source record↗

NASA NTRS2012

Rolling Bearing Steels - A Technical and Historical Perspective

Starting about 1920 it becomes easier to track the growth of bearing materials technology. Until 1955, with few exceptions, comparatively little progress was made in this area. AISI 52100 and some carburizing grades (AISI 4320, AISI 9310) were adequate for most applications. The catalyst to quantum advances in high-performance rolling-element bearing steels was the advent of the aircraft gas turbine engine. With improved bearing manufacturing and steel processing together with advanced lubrication technology, the potential improvements in bearing life can be as much as 80 times that attainable in the late 1950s or as much as 400 times that attainable in 1940. This paper summarizes the chemical, metallurgical and physical aspects of bearing steels and their effect on rolling bearing life and reliability. The single most important variable that has significantly increased bearing life and reliability is vacuum processing of bearing steel. Differences between through hardened, case carburized and corrosion resistant steels are discussed. The interrelation of alloy elements and carbides and their effect on bearing life are presented. An equation relating bearing life, steel hardness and temperature is given. Life factors for various steels are suggested and discussed. A relation between compressive residual stress and bearing life is presented. The effects of retained austenite and grain size are discussed.

Zaretsky, Erwin V.↗