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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Qubit Assignment Using Time Reversal

As quantum computers with large numbers of qubits become increasingly available, experiments executed on a given device may not utilize all available qubits. In this case, the outcome of executing a quantum program will depend on the ability to efficiently select a subset of high-performing physical qubits. For any given quantum program and device there are many ways to assign physical qubits for execution of the program, and assignments will differ in performance due to the variability in quality across qubits and entangling operations on a single device. Evaluating the performance of each assignment using fidelity estimation introduces significant experimental overhead and will be infeasible for many applications, while relying on standard device benchmarks provides incomplete information about the performance of any specific program. Furthermore, the number of possible assignments grows combinatorially in the number of qubits on the device and in the program, motivating the use of heuristic optimization techniques. We demonstrate a practical solution to the problem of qubit assignment by using simulated annealing with a cost function based on the Loschmidt echo, a diagnostic that measures the reversibility of a quantum process. We provide theoretical justification for this choice of cost function by demonstrating that the optimal qubit assignment coincides with the optimal qubit assignment based on state fidelity in the weak error limit, and we provide experimental justification using diagnostics performed on Google’s superconducting qubit devices. We then establish the performance of simulated annealing for qubit assignment using classical simulations of noisy devices as well as optimization experiments performed on a quantum processor. Our results demonstrate that the use of Loschmidt echoes and simulated annealing provides a scalable and flexible approach to optimizing qubit assignment on near-term hardware.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

High–Yield Deterministic Focused Ion Beam Implantation of Quantum Defects Enabled by In Situ Photoluminescence Feedback

Focused ion beam implantation is ideally suited for placing defect centers in wide bandgap semiconductors with nanometer spatial resolution. However, the fact that only a few percent of implanted defects can be activated to become efficient single photon emitters prevents this powerful capability to reach its full potential in photonic/electronic integration of quantum defects. Here an industry adaptive scalable technique is demonstrated to deterministically create single defects in commercial grade silicon carbide by performing repeated low ion number implantation and in situ photoluminescence evaluation after each round of implantation. An array of 9 single defects in 13 targeted locations is successfully created—a ≈70% yield which is more than an order of magnitude higher than achieved in a typical single pass ion implantation. The remaining emitters exhibit non-classical photon emission statistics corresponding to the existence of at most two emitters. This approach can be further integrated with other advanced techniques such as in situ annealing and cryogenic operations to extend to other material platforms for various quantum information technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantum Quench Dynamics–Crossover Phenomena in Nonequilibrium Correlated Quantum Systems (Final Technical Report)

In this project we have developed analytical and numerical tools to study the interplay between interactions, dimensionality, fluctuations and disorder in quantum impurity systems. We have studied the transient dynamics following a quench, i.e. the sudden change in a control variable of the model Hamiltonian, which offers a unique way to examine the system’s spatial, temporal and energetic structure. Specifically, we have investigated how crossover scales, i.e. given by Kondo couplings, are affected by disorder. We have addressed a wide range of phenomena, such as the effects of static disorder on dynamical screening of magnetic impurities, and the influence of a fully time-fluctuating bath environment on the dephasing of system qubits. We have found that many of these systems exhibit fascinating counterintuitive behavior, such as e.g. the possibility of asymptotic unitary time evolution in specifically conditioned system-bath Hamiltonians. From a technical point of view, we have developed a supersymmetric formalism to analyze scaling functions of disordered quantum impurity spin chains, we generalized the strong-coupling real-space renormalization group method to probe the quench dynamics of higher-dimensional quantum impurity systems, and we devised a master equation approach that included the effects of a fully fluctuating environment. This way, we have addressed a very broad spectrum of transient phenomena in quantum impurity systems, with disorder ranging from the quenched to the annealed limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2005

Influence of Growth Parameters and Annealing on Properties of MBE Grown GaAsSbN SQWs

In this paper we report the growth of GaAsSbN/GaAs single quantum well (SQW) heterostructures by molecular beam epitaxy (MBE) and their properties. A systematic study has been carried out to determine the effect of growth conditions, such as the source shutter opening sequence and substrate temperature, on the structural and optical properties of the layers. The substrate temperatures in the range of 450-470 C were found to be optimal. Simultaneous opening of the source shutters (SS) resulted in N incorporation almost independent of substrate temperature and Sb incorporation higher at lower substrate temperatures. The effects of ex-situ annealing in nitrogen ambient and in-situ annealing under As ovepressure on the optical properties of the layers have also been investigated. A significant increase in photoluminescence (PL) intensity with reduced full width at half maxima (FWHM) in conjunction with a blue shift in the emission energy was observed on 10 annealing the samples. In in-situ annealed samples, the PL line shapes were more symmetric and the temperature dependence of the PL peak energy indicated significant decrease in the exciton localization energy as exhibited by a less pronounced S-shaped curve. The inverted S-shaped curve observed in the temperature dependence of PL FWHM is also discussed. 1.61 micrometer emission with FWHM of 25 meV at 20K has been obtained in in-situ annealed GaAsSbN/GaAs SQW grown at 470 C by SS.

Wu, Liangjin↗
DOE OSTI2023

Recovering the efficiency of AlGaInP red micro-LEDs using sidewall treatments

A sidewall treatment process is proposed to recover the external quantum efficiency (EQE) loss in AlGaInP micro-LEDs ( μ LEDs). The proposed sidewall treatment consists of thermal annealing, ammonium sulfide chemical treatment, and sidewall passivation using atomic-layer deposition (ALD). The devices with sidewall treatment show improved optical power of more than 500% and 190% at 5 and 100 A cm −2 , respectively, compared to devices with ALD sidewall passivation. The reduction in EQE was 20% when shrinking the device dimensions from 100 × 100 to 20 × 20 μ m 2 . Finally, this work reveals that AlGaInP μ LEDs can be energy efficient by employing proper sidewall treatments.

Wong, Matthew S.↗
DOE OSTI2026

Production of High Yield, Ultra‐Shallow Nitrogen‐Vacancy Centre Ensembles Through High Purity Forming gas Annealing

Dense, ultra‐shallow (<10 nm from the surface) ensembles of nitrogen‐vacancy (NV) centers in diamond are sought‐after for realising practical quantum sensing at the nanoscale. However, these ensembles typically suffer from reduced NV creation efficiency and spin coherence compared to their deeper and bulk counterparts. Consequently, most demonstrations in the literature to date have been restricted to using single NV centers with atypical coherence and charge stability properties not achievable across entire ensembles. Here, in this work, we demonstrate that controlled annealing in a high purity forming gas atmosphere improves near‐surface NV formation efficiency to over 20%. This environment preserves a high quality hydrogen termination throughout the anneal, avoiding material etching over many hours at temperatures up to 1100°C and possibly helping to suppress vacancy out‐diffusion. We show that high temperature annealing is especially vital for improving spin properties in high density, ultra‐shallow implanted samples due to the localised damage profiles produced. By allowing the formation of high yield NV ensembles with improved spin properties, the optimised forming gas anneal can facilitate the reliable production of more sensitive diamond sensors than have previously been accessible.

Healey, Alexander J. [Royal Melbourne Institute of↗
DOE OSTI2026

Classical combinatorial optimization scaling for random Ising models on 2D heavy-hex graphs

Motivated by near term quantum computing hardware limitations, combinatorial optimization problems that can be addressed by current quantum algorithms and noisy hardware with little or no overhead are used to probe capabilities of quantum algorithms such as the quantum approximate optimization algorithm. In this study, a specific class of near term quantum computing hardware defined combinatorial optimization problems, Ising models on heavy-hex graphs both with and without geometrically local cubic terms, are examined for their classical computational hardness via empirical computation time scaling quantification. Specifically the time-to-solution (TTS) metric using the classical heuristic simulated annealing is measured for finding optimal variable assignments (ground states), as well as the time required for the optimization software Gurobi to find an optimal variable assignment. Because of the sparsity of these Ising models, the classical algorithms are able to find optimal solutions efficiently even for large instances (i.e. 100 000 spin variables). The Ising models both with and without geometrically local cubic terms exhibit average-case linear-time or weakly quadratic scaling when solved exactly using Gurobi, and the Ising models with no cubic terms show evidence of exponential-time TTS scaling when sampled using simulated annealing. These findings point to the necessity of developing and testing more complex, namely more densely connected, optimization problems in order for quantum computing to ever have a practical advantage over classical computing. Our results are another illustration that different classical algorithms can indeed have exponentially different running times, thus making the identification of the best practical classical technique important in any quantum computing vs. classical computing comparison.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Optimizing ensemble NV − spin properties of fluorescent diamond microparticles by systematic low pressure high temperature annealing

Low pressure high temperature annealing is a means for driving nitrogen and defect diffusion in diamond to reduce internal lattice damage without the need for technically complicated high-pressure cells. Herein, we perform a systematic time (5, 15, and 30 min) and temperature (1200 °C–1800 °C) study of effects of low-pressure high temperature annealing on photoluminescence, spin concentrations, and spin relaxation properties of NV centers in ca. 3 μm synthetic type 1b diamond particles. Annealing in the temperature range of ca. 1400 °C–1700 °C for even 5 min leads to a higher optically detected magnetic resonance contrast as compared to standard annealing at 900 °C for 2 h. Particles annealed at 1700 °C for 5 min exhibit a contrast close to about 13% as compared to about 9% for those annealed at 900 °C for 2 h. A reduction in the zero-field splitting strain parameter from E ≈ 4.5 MHz to ≈ 2.5 MHz and spectral linewidth from Δν ≈ 7 MHz to ≈ 4 MHz are observed even after 5 min annealing at 1700 °C. Improvements in these spectral parameters resulted in a roughly 2-fold reduction in the noise level of temperature monitoring experiment utilizing an ensemble of NV centers in the particles. Annealing in the temperature range of 1600 °C for 15 or 30 min or 1700 °C for 5 min resulted in NV T 1 relaxation times approaching ca. 5 ms typically observed for bulk diamond. Quantitative electron paramagnetic resonance (EPR) allowed for estimations of thermal activation energies of paramagnetic center annihilation. Monitoring the primary defect concentration (P1 and other defects with half integer spins) and utilizing second order kinetic modeling, an activation energy of 3.63 ± 0.28 eV was estimated. Alternatively, using the NV half field EPR signal and first order kinetic modeling, a similar activation energy 3.89 ± 0.29 eV was estimated.

NV centers↗
DOE OSTI2025

Optimizing superconducting Nb film cavities by mitigating medium-field Q -slope through annealing

Niobium films are of interest in applications in various superconducting devices, such as superconducting radiofrequency cavities for particle accelerators and superconducting qubits for quantum computing. In this study, we address the persistent medium-field Q-slope issue in Nb film cavities, which, despite their high-quality factor at low RF fields, exhibit a significant Q-slope at medium RF fields compared to bulk Nb cavities. Traditional heat treatments, effective in reducing surface resistance and mitigating the Q-slope in bulk Nb cavities, are challenging for Nb-coated copper cavities. To overcome this challenge, we employed DC bias high-power impulse magnetron sputtering to deposit Nb film onto a 1.3 GHz single-cell elliptical bulk Nb cavity, followed by annealing treatments aimed at modifying the properties of the Nb film. In-situ annealing at 340 °C increased the quench field from 10.0 to 12.5 MV m −1 . Vacuum furnace annealing at 600 °C and 800 °C for 3 h resulted in a quench field increase of 13.5 and 15.3 MV m −1 , respectively. Further annealing at 800 °C for 6 h boosted the quench field to 17.5 MV m −1 . Additionally, the annealing treatments significantly reduced the field dependence of the surface resistance. However, increasing the annealing temperature to 900 °C induced a Q-switch phenomenon in the cavity. The analysis of RF performance and material characterization before and after annealing has provided critical insights into how the microstructure and impurity levels in Nb films influence the evolution of the Q-slope in Nb film cavities. Our findings highlight the significant roles of hydrides, high local misorientation, and lattice and surface defects in driving field-dependent losses. By strategically optimizing film properties and controlling impurity levels, we demonstrate a promising pathway to mitigate the medium-field Q-slope, paving the way for more efficient superconducting RF technologies.

Nb film↗
NASA NTRS1991

Annealing characteristics of amorphous silicon alloy solar cells irradiated with 1.00 MeV protons

Amorphous Si:H and amorphous Si sub x, Ge sub (1-x):H solar cells were irradiated with 1.00 MeV proton fluences in the range of 1.00E14 to 1.25E15 cm (exp -2). Annealing of the short circuit current density was studied at 0, 22, 50, 100, and 150 C. Annealing times ranged from an hour to several days. The measurements confirmed that annealing occurs at 0 C and the initial characteristics of the cells are restored by annealing at 200 C. The rate of annealing does not appear to follow a simple nth order reaction rate model. Calculations of the short-circuit current density using quantum efficiency measurements and the standard AM1.5 global spectrum compare favorably with measured values. It is proposed that the degradation in J sub sc with irradiation is due to carrier recombination through the fraction of D (o) states bounded by the quasi-Fermi energies. The time dependence of the rate of annealing of J sub sc does appear to be consistent with the interpretation that there is a thermally activated dispersive transport mechanism which leads to the passivation of the irradiation induced defects.

Abdulaziz, Salman S.↗
DOE OSTI2024

Programmable quantum emitter formation in silicon

Abstract Silicon-based quantum emitters are candidates for large-scale qubit integration due to their single-photon emission properties and potential for spin-photon interfaces with long spin coherence times. Here, we demonstrate local writing and erasing of selected light-emitting defects using femtosecond laser pulses in combination with hydrogen-based defect activation and passivation at a single center level. By choosing forming gas (N 2 /H 2 ) during thermal annealing of carbon-implanted silicon, we can select the formation of a series of hydrogen and carbon-related quantum emitters, including T and C i centers while passivating the more common G-centers. The C i center is a telecom S-band emitter with promising optical and spin properties that consists of a single interstitial carbon atom in the silicon lattice. Density functional theory calculations show that the C i center brightness is enhanced by several orders of magnitude in the presence of hydrogen. Fs-laser pulses locally affect the passivation or activation of quantum emitters with hydrogen for programmable formation of selected quantum emitters.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Influence of Disorder on the Electronic Properties and Magnetotransport of Ti 3 C 2 T x Single-Flake Devices

The exploration of MXenes for electronic applications is a rapidly growing field in materials science. However, most research has focused on MXene films, with only a limited number of studies addressing the characterization of single-flake devices. In this work, we investigate the electronic and magnetotransport properties of Ti 3 C 2 T x single-flake devices, exploring the influence of structural defectivity on their transport mechanisms. We show that negative magnetoresistance present at low temperatures in single flake samples arises from weak localization, which we analyze to extract the phase coherence length of single-layer and multi-layer flakes. The study of magnetoresistance for this metallic MXene shows that the material exhibits quantum transport phenomena when intrinsic electronic behavior dominates. Moreover, by increasing the defect density via thermal annealing in ultrahigh vacuum, we uncover and characterize the metal-to-disordered metal transition in Ti 3 C 2 T x , shedding light on new properties and enriching fundamental knowledge about MXenes.

MXenes↗
DOE OSTI2021

Formation of a Ti–Cu(111) single atom alloy: Structure and CO binding

A single atom Ti–Cu(111) surface alloy can be generated by depositing small amounts of Ti onto Cu(111) at slightly elevated surface temperatures (~500 to 600 K). Here, scanning tunneling microscopy shows that small Ti-rich islands covered by a Cu single layer form preferentially on ascending step edges of Cu(111) during Ti deposition below about 400 K but that a Ti–Cu(111) alloy replaces these small islands during deposition between 500 and 600 K, producing an alloy in the brims of the steps. Larger partially Cu-covered Ti-containing islands also form on the Cu(111) terraces at temperatures between 300 and 700 K. After surface exposure to CO at low temperatures, reflection absorption infrared spectroscopy (RAIRS) reveals distinct C–O stretch bands at 2102 and 2050 cm –1 attributed to CO adsorbed on Cu-covered Ti-containing domains vs sites in the Ti–Cu(111) surface alloy. Calculations using density functional theory (DFT) suggest that the lower frequency C–O stretch band originates specifically from CO adsorbed on isolated Ti atoms in the Ti–Cu(111) surface alloy and predicts a higher C–O stretch frequency for CO adsorbed on Cu above subsurface Ti ensembles. DFT further predicts that CO preferentially adsorbs in flat-lying configurations on contiguous Ti surface structures with more than one Ti atom and thus that CO adsorbed on such structures should not be observed with RAIRS. The ability to generate a single atom Ti–Cu(111) alloy will provide future opportunities to investigate the surface chemistry promoted by a representative early transition metal dopant on a Cu(111) host surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Predicting the viscoplastic response of a crystallizing fluoropolymer using transient network theory

We employ a molecular theory of dynamic polymer networks to describe the viscoplastic response of rubbery FK-800, a thermoplastic copolymer of chlorotrifluoroethylene and vinylidene fluoride, over a broad range of thermal histories. The kinetics of crystallization at different annealing temperatures was modeled using a modified Avrami equation, whose parameters were found to evolve through simple relationships over the full temperature range of the rubbery state. By fitting experimental compression data, we discovered predictable trends for the physical parameters in our mechanical model over its full range of crystallinities (up to ≈20%) and provided insights based on molecular-level physics to justify them. Using this, an end-to-end model was developed to predict the yielding and post-yield behavior of rubbery FK-800 for arbitrary thermal histories. The model successfully predicted the highly nonlinear evolution of characteristic mechanical signatures (stiffness, yield point, post-yield drop) throughout the crystallization process. A statistical analysis of variance test was employed to determine that the measured variations in the mechanical behavior of rubbery FK-800 are primarily dictated by its fractional crystallinity, regardless of its exact thermal history.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Suppressing Charged Cation Antisites via Se Vapor Annealing Enables p-Type Dopability in AgBiSe 2 –SnSe Thermoelectrics

Cation disordering is commonly found in multinary cubic compounds, but its effect on electronic properties has been neglected because of difficulties in determining the ordered structure and defect energetics. An absence of rational understanding of the point defects present has led to poor reproducibility and uncontrolled conduction type. AgBiSe 2 is a representative compound that suffers from poor reproducibility of thermoelectric properties, while the origins of its intrinsic n-type conductivity remain speculative. Here, it is demonstrated that cation disordering is facilitated by Bi Ag charged antisite defects in cubic AgBiSe 2 which also act as a principal donor defect that greatly controls the electronic properties. Using density functional theory calculations and in situ Raman spectroscopy, how saturation annealing with selenium vapor can stabilize p-type conductivity in cubic AgBiSe 2 alloyed with SnSe at high temperatures is elucidated. With stable and controlled hole concentration, a peak is observed in the weighted mobility and the density-of-states effective mass in AgBiSnSe 3 , implying an increased valley degeneracy in this system. These findings corroborate the importance of considering the defect energetics for exploring the dopability of ternary thermoelectric chalcogenides and engineering electronic bands by controlling self-doping.

36 MATERIALS SCIENCE↗