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Results for “Quantum characterization”

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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Decision making based on optical excitation transfer via near-field interactions between quantum dots

Optical near-field interactions between nanostructured matters, such as quantum dots, result in unidirectional optical excitation transfer when energy dissipation is induced. This results in versatile spatiotemporal dynamics of the optical excitation, which can be controlled by engineering the dissipation processes and exploited to realize intelligent capabilities such as solution searching and decision making. Here, we experimentally demonstrate the ability to solve a decision making problem on the basis of optical excitation transfer via near-field interactions by using colloidal quantum dots of different sizes, formed on a geometry-controlled substrate. We characterize the energy transfer behavior due to multiple control light patterns and experimentally demonstrate the ability to solve the multi-armed bandit problem. Our work makes a decisive step towards the practical design of nanophotonic systems capable of efficient decision making, one of the most important intellectual attributes of the human brain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Kagome qubit ice

Abstract Topological phases of spin liquids with constrained disorder can host a kinetics of fractionalized excitations. However, spin-liquid phases with distinct kinetic regimes have proven difficult to observe experimentally. Here we present a realization of kagome spin ice in the superconducting qubits of a quantum annealer, and use it to demonstrate a field-induced kinetic crossover between spin-liquid phases. Employing fine control over local magnetic fields, we show evidence of both the Ice-I phase and an unconventional field-induced Ice-II phase. In the latter, a charge-ordered yet spin-disordered topological phase, the kinetics proceeds via pair creation and annihilation of strongly correlated, charge conserving, fractionalized excitations. As these kinetic regimes have resisted characterization in other artificial spin ice realizations, our results demonstrate the utility of quantum-driven kinetics in advancing the study of topological phases of spin liquids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Magnon-mediated qubit coupling determined via dissipation measurements

Controlled interaction between localized and delocalized solid-state spin systems offers a compelling platform for on-chip quantum information processing with quantum spintronics. Hybrid quantum systems (HQSs) of localized nitrogen-vacancy (NV) centers in diamond and delocalized magnon modes in ferrimagnets—systems with naturally commensurate energies—have recently attracted significant attention, especially for interconnecting isolated spin qubits at length-scales far beyond those set by the dipolar coupling. However, despite extensive theoretical efforts, there is a lack of experimental characterization of the magnon-mediated interaction between NV centers, which is necessary to develop such hybrid quantum architectures. Here, we experimentally determine the magnon-mediated NV–NV coupling from the magnon-induced self-energy of NV centers. Our results are quantitatively consistent with a model in which the NV center is coupled to magnons by dipolar interactions. This work provides a versatile tool to characterize HQSs in the absence of strong coupling, informing future efforts to engineer entangled solid-state systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Creating and Probing Large Gap 2D Topological Insulators for Quantum Computing (Final Report)

Research under this award focused on experimental and theoretical efforts in developing and characterizing 2D topological insulators (TIs). Key areas of investigation included materials synthesis, device fabrication and characterization, and theoretical advancements. The team synthesized ZrTe 5 , a material with potential for TI phases. Additionally, the team pursued the synthesis of elemental thin films like Indene and Bismuthene, known for their large TI gaps. Indene was successfully stabilized on SiC. Another approach involved stacking and twisting transition metal dichalcogenides (TMDs) to engineer desired TI band structures. On the theoretical front, advancements made under this award predicted remarkable topological properties in twisted WSe2 bilayers, motivating experimental efforts to realize these states. Regarding device fabrication and characterization, significant progress was made in reducing contact resistance, crucial for reliable transport measurements. Contactless Pulsed Tunneling Spectroscopy (CPTS) was employed to study the electronic properties of WTe 2 and WSe 2 . However, challenges in device fabrication and electrode material selection hampered efforts to obtain desired spectra. Ancillary work, utilizing pulsed electrical methods, on the study of sliding ferroelectrics yielded impactful results demonstrating high speed operation and lack of degradation of devices after many billions of cycles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

TLS characterization using multilevel decay of a fixed-frequency transmon

Transmon qubits are a cornerstone of superconducting quantum computing platforms, yet their coherence times often exhibit temporal fluctuations that degrade processor performance. These variations are commonly attributed to shifts in the resonance frequencies of individual two-level systems (TLSs) near the qubit transition. In this study, we monitor the lifetimes of multiple energy levels of a fixed-frequency transmon and examine their temporal correlations. Our measurements reveal that one or more TLSs—detuned by more than 100 MHz from the qubit transition—can still significantly influence coherence. The proposed method provides a powerful tool for TLS spectroscopy without the need to tune the transmon frequency, either via a flux-tunable inductor or AC-Stark shifts.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗
DOE OSTI2026

TLS characterization using multilevel decay of a fixed-frequency transmon

Transmon qubits are a cornerstone of superconducting quantum computing platforms, yet their coherence times often exhibit temporal fluctuations that degrade processor performance. These variations are commonly attributed to shifts in the resonance frequencies of individual two-level systems (TLSs) near the qubit transition. In this study, we monitor the lifetimes of multiple energy levels of a fixed-frequency transmon and examine their temporal correlations. Our measurements reveal that one or more TLSs—detuned by more than 100 MHz from the qubit transition—can still significantly influence coherence. The proposed method provides a powerful tool for TLS spectroscopy without the need to tune the transmon frequency, either via a flux-tunable inductor or AC-Stark shifts.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗
DOE OSTI2022

Multivalent optical cycling centers: towards control of polyatomics with multi-electron degrees of freedom

Optical control of polyatomic molecules promises new opportunities in precision metrology and fundamental chemistry, as well as quantum information and many-body science. Contemporary experimental and theoretical efforts have mostly focused on cycling photons via excitation of a single electron localized to an alkaline earth (group 2)-like metal center. In this paper, we consider pathways towards optical cycling in polyatomic molecules with multi-electron degrees of freedom, which arise from two or more cycling electrons localized to p-block post-transition metal and metalloid (group 13, 14, and 15) centers. Here, we characterize the electronic structure and rovibrational branching of several prototypical candidates using ab initio quantum chemical methods. Despite increased internal complexity and challenging design parameters, we find several molecules possessing quasi-closed photon cycling schemes with highly diagonal, visible and near-infrared transitions. Furthermore, we identify new heuristics for engineering optically controllable and laser-coolable polyatomic molecules with multi-electron cycling centers. Our results help elucidate the interplay between hybridization, repulsion, and ionicity in optically active species and provide new directions for using polyatomic molecules with complex electronic structure as a resource for quantum science and measurement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Quantitative determination of optical and recombination losses in thin-film photovoltaic devices based on external quantum efficiency analysis

In developing photovoltaic devices with high efficiencies, quantitative determination of the carrier loss is crucial. In conventional solar-cell characterization techniques, however, photocurrent reduction originating from parasitic light absorption and carrier recombination within the light absorber cannot be assessed easily. Here, we develop a general analysis scheme in which the optical and recombination losses in submicron-textured solar cells are evaluated systematically from external quantum efficiency (EQE) spectra. In this method, the optical absorption in solar cells is first deduced by imposing the anti-reflection condition in the calculation of the absorptance spectrum, and the carrier extraction from the light absorber layer is then modeled by considering a carrier collection length from the absorber interface. Our analysis method is appropriate for a wide variety of photovoltaic devices, including kesterite solar cells [Cu{sub 2}ZnSnSe{sub 4}, Cu{sub 2}ZnSnS{sub 4}, and Cu{sub 2}ZnSn(S,Se){sub 4}], zincblende CdTe solar cells, and hybrid perovskite (CH{sub 3}NH{sub 3}PbI{sub 3}) solar cells, and provides excellent fitting to numerous EQE spectra reported earlier. Based on the results obtained from our EQE analyses, we discuss the effects of parasitic absorption and carrier recombination in different types of solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Cathodoluminescence as an effective probe of carrier transport and deep level defects in droop-mitigating InGaN/GaN quantum well heterostructures

Commercial InGaN/GaN light emitting diodes continue to suffer from efficiency droop at high current densities, and urgently require enhanced structural-optical toolsets for active region characterization. We measure delayed (tens of seconds) cathodoluminescence which is influenced by carrier transport and deep level defects. Further, we observe that drops in efficiency are not correlated with quantum well (QW) width fluctuations. To explain the rise dynamics, we propose a model involving filling of deep level defects and simultaneous reduction of built-in field within the multi-QW active region. These measurements yield insights into carrier transport, efficiency-reducing defects, and QW band structure.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Modeling direct band-to-band tunneling: From bulk to quantum-confined semiconductor devices

A rigorous framework to study direct band-to-band tunneling (BTBT) in homo- and hetero-junction semiconductor nanodevices is introduced. An interaction Hamiltonian coupling conduction and valence bands (CVBs) is derived using a multiband envelope method. A general form of the BTBT probability is then obtained from the linear response to the “CVBs interaction” that drives the system out of equilibrium. Simple expressions in terms of the one-electron spectral function are developed to compute the BTBT current in two- and three-dimensional semiconductor structures. Additionally, a two-band envelope equation based on the Flietner model of imaginary dispersion is proposed for the same purpose. In order to characterize their accuracy and differences, both approaches are compared with full-band, atomistic quantum transport simulations of Ge, InAs, and InAs-Si Esaki diodes. As another numerical application, the BTBT current in InAs-Si nanowire tunnel field-effect transistors is computed. It is found that both approaches agree with high accuracy. The first one is considerably easier to conceive and could be implemented straightforwardly in existing quantum transport tools based on the effective mass approximation to account for BTBT in nanodevices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Blue Light Emitting Defective Nanocrystals Composed of Earth‐Abundant Elements

Abstract Copper‐based ternary (I–III–VI) chalcogenide nanocrystals (NCs) are compositionally‐flexible semiconductors that do not contain lead (Pb) or cadmium (Cd). Cu‐In‐S NCs are the dominantly studied member of this important materials class and have been reported to contain optically‐active defect states. However, there are minimal reports of In‐free compositions that exhibit efficient photoluminescence (PL). Here, we report a novel solution‐phase synthesis of ≈4 nm defective nanocrystals (DNCs) composed of copper, aluminum, zinc, and sulfur with ≈20 % quantum yield and an attractive PL maximum of 450 nm. Extensive spectroscopic characterization suggests the presence of highly localized electronic states resulting in reasonably fast PL decays (≈1 ns), large vibrational energy spacing, small Stokes shift, and temperature‐independent PL linewidth and PL lifetime (between room temperature and ≈5 K). Furthermore, density functional theory (DFT) calculations suggest PL transitions arise from defects within a CuAl 5 S 8 crystal lattice, which supports the experimental observation of highly‐localized states. The results reported here provide a new material with unique optoelectronic characteristics that is an important analog to well‐explored Cu‐In‐S NCs.

Hansen, Eric C.↗
DOE OSTI2019

Blue Light Emitting Defective Nanocrystals Composed of Earth-Abundant Elements

Copper-based ternary (I–III–VI) chalcogenide nanocrystals (NCs) are compositionally-flexible semiconductors that do not contain lead (Pb) or cadmium (Cd). Cu-In-S NCs are the dominantly studied member of this important materials class and have been reported to contain optically-active defect states. However, there are minimal reports of In-free compositions that exhibit efficient photoluminescence (PL). Here, we report a novel solution-phase synthesis of ≈4 nm defective nanocrystals (DNCs) composed of copper, aluminum, zinc, and sulfur with ≈20 % quantum yield and an attractive PL maximum of 450 nm. Extensive spectroscopic characterization suggests the presence of highly localized electronic states resulting in reasonably fast PL decays (≈1 ns), large vibrational energy spacing, small Stokes shift, and temperature-independent PL linewidth and PL lifetime (between room temperature and ≈5 K). Furthermore, density functional theory (DFT) calculations suggest PL transitions arise from defects within a CuAl 5 S 8 crystal lattice, which supports the experimental observation of highly-localized states. The results reported here provide a new material with unique optoelectronic characteristics that is an important analog to well-explored Cu-In-S NCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effect of Annealing Temperature on Structure and Magnetic Properties of Zn{sub 0.94}Mg{sub 0.01}Mn{sub 0.05}O Nanoparticles

Structural and magnetic characteristics of Zn{sub 0.94}Mg{sub 0.01}Mn{sub 0.05}O (ZnMgMnO) nanoparticles synthesized by Sol-Gel preparation technique in a wide temperature range were reported. The influence of annealing temperature on the crystal structure of ZnMgMnO nanoparticles was figured out by X-ray diffraction technique (XRD). To optimize the annealing temperature and reveal the particle formation and size, Scanning Electron Microscope (SEM) imaging technique was performed. The required stoichiometry of the synthesized samples was obtained by an energy dispersive X-ray analysis technique (EDX). Quantum Design Vibrating Sample Magnetometer (QDVSM) tool was used for the magnetic characterizations of Zn{sub 0.94}Mg{sub 0.01}Mn{sub 0.05}O composition. Magnetization measurements as a function of magnetic field (M-H) were performed in the magnetic field up to 10 kOe. Temperature dependence of magnetization measurements (M-T) was taken between 10 and 320 K temperature ranges.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Accelerating materials science with high-throughput computations and machine learning

With unprecedented amounts of materials data generated from experiments as well as high-throughput density functional theory calculations, machine learning techniques has the potential to greatly accelerate materials discovery and design. In this report we review our efforts in the Materials Virtual Lab to integrate software automation, data generation and curation and machine learning to (i) design and optimize technological materials for energy storage, energy efficiency and high-temperature alloys; (ii) develop scalable quantum-accurate models, and (iii) enhance the speed and accuracy in interpreting characterization spectra.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Polyakov loop modeling for hot QCD

Here, we review theoretical aspects of quantum chromodynamics (QCD) at finite temperature. The most important physical variable to characterize hot QCD is the Polyakov loop, which is an approximate order parameter for quark deconfinement in a hot gluonic medium. Additionally to its role as an order parameter, the Polyakov loop has rich physical contents in both perturbative and non-perturbative sectors. This review covers a wide range of subjects associated with the Polyakov loop from topological defects in hot QCD to model building with coupling to the Polyakov loop.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Monitoring the Folding Kinetics of a β-Hairpin by Time-Resolved IR Spectroscopy in Silico

One of the most fundamental problems in modern biochemistry is protein folding. Time-resolved infrared (IR) spectroscopy in the amide I region is commonly used to monitor folding kinetics. However, associated atomic detail information on the folding mechanism requires simulations. In atomistic simulations structural order parameters are typically used to follow the folding process along the simulated trajectories. But, a rigorous test of the reliability of the mechanisms found in the simulations requires calculation of the time-dependent experimental observable, i.e., in the present case the IR signal in the amide I region. Here, we combine molecular dynamics simulation with a mixed quantum mechanics/molecular mechanics theoretical methodology, the Perturbed Matrix Method, in order to characterize the folding of a -hairpin peptide, through modeling the time-dependence of the amide I IR signal. The kinetic and thermodynamic data (folding and unfolding rate constants, and equilibrium folded- and unfolded-state probabilities) obtained from the fit of the calculated signal are in good agreement with the available experimental data [Xu et al. J. Am. Chem. Soc. 2003, 125, 15388 15394]. Furthermore, to the best of our knowledge, this is the first report of the simulation of the time-resolved IR signal of a complex process occurring on a long (microsecond) time scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Time-of-flight detection of terahertz phonon-polariton

A polariton is a fundamental quasiparticle that arises from strong light-matter interaction and as such has attracted wide scientific and practical interest. When light is strongly coupled to the crystal lattice, it gives rise to phonon-polaritons (PPs), which have been proven useful in the dynamical manipulation of quantum materials and the advancement of terahertz technologies. Yet, current detection and characterization methods of polaritons are still limited. Traditional techniques such as Raman or transient grating either rely on fine-tuning of external parameters or complex phase extraction techniques. To overcome these inherent limitations, we propose and demonstrate a technique based on a time-of-flight measurement of PPs. We resonantly launch broadband PPs with intense terahertz fields and measure the time-of-flight of each spectral component with time-resolved second harmonic generation. The time-of-flight information, combined with the PP attenuation, enables us to resolve the real and imaginary parts of the PP dispersion relation. We demonstrate this technique in the van der Waals magnets NiI 2 and MnPS 3 and reveal a hidden magnon-phonon interaction. We believe that this approach will unlock new opportunities for studying polaritons across diverse material systems and enhance our understanding of strong light-matter interaction.

condensed-matter physics↗