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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Spin excitations and flat electronic bands in a Cr-based kagome superconductor

In the quest for topology- and correlation-driven quantum states, kagome lattice materials have garnered significant interest for their band structures, featuring flat bands (FBs) from the quantum destructive interference of the electronic wavefunction. Tuning an FB to the chemical potential could induce electronic instabilities and emergent orders. Despite extensive studies, direct evidence of FBs tuned to the chemical potential and their role in emergent orders in bulk materials remains lacking. Using angle-resolved photoemission spectroscopy, resonant inelastic X-ray scattering, and density functional theory, we show that the low-energy structure of the Cr-based kagome metal superconductor CsCr 3 Sb 5 is dominated by FBs at the Fermi level. We also observe low-energy magnetic excitations evolving across the low-temperature transition, largely consistent with the FB shift. Our results suggest that the low-temperature order contains a magnetic origin and that the kagome FBs may play a role in the emergence of this order.

electronic properties and materials↗
DOE OSTI2020

Multidimensional four-wave-mixing spectroscopy with squeezed light

A set of nonlinear spectroscopic measurements with quantum light is presented here. It involves a strong pump with frequency ω pu and a weak probe atω pr interacting with a solid state target to generate a conjugated beam ω c =2ω pu -ω pr via nondegenerate four-wave mixing. The $\chi^{(3)}$ susceptibility can be measured by the noise spectra of the intensity difference of the squeezed beams. We discuss three spectroscopic setups based on squeezed light: first, single four-wave mixing in a single crystal; second, cascading scheme involving two crystals; third, an $\textit{SU}$(1, 1) interferometer based on two separate four-wave mixing processes. We further investigate the microscopic noise and optical losses in all three setups. Simulations are presented for silicon-vacancy color centers in diamond.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Analysis methodology of coherent oscillations in time- and angle-resolved photoemission spectroscopy

Oscillatory signals from coherently excited phonons are regularly observed in ultrafast pump–probe experiments on condensed matter samples. Electron–phonon coupling implies that coherent phonons also modulate the electronic band structure. These oscillations can be probed with energy and momentum resolution using time- and angle-resolved photoemission spectroscopy (trARPES), which reveals the orbital dependence of the electron–phonon coupling for a specific phonon mode. However, a comprehensive analysis remains challenging when multiple coherent phonon modes couple to multiple electronic bands. Complex spectral line shapes due to strong correlations in quantum materials add to this challenge. In this work, we examine how the frequency domain representation of trARPES data facilitates a quantitative analysis of coherent oscillations of the electronic bands. Here, we investigate the frequency domain representation of the photoemission intensity and the first moment of the energy distribution curves. Both quantities provide complementary information and are able to distinguish oscillations of binding energy, linewidth, and intensity. We analyze a representative trARPES dataset of the transition metal dichalcogenide WTe 2 and construct composite spectra, which intuitively illustrate how much each electronic band is affected by a specific phonon mode. We also show how a linearly chirped probe pulse can generate extrinsic artifacts that are distinct from the intrinsic coherent phonon signal.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Redox conditions correlated with vibronic coupling modulate quantum beats in photosynthetic pigment–protein complexes

Significance Photosynthetic organisms evolved their light-harvesting antenna complexes to optimize energy transfer. It was recently shown that the redox environment can tune the mixing of electronic and vibrational states to steer energy through different pathways of a pigment–protein complex. Quantum beating signals in the spectra of pigment–protein complexes have been used to probe the excited-state dynamics within the complexes, but the microscopic dynamics that generate these signals and their role in promoting energy transfer are not fully understood. Here, we show that the redox environment that tunes energy transfer similarly tunes the quantum beating signals in the same complex. We find that the beats report on excited-state vibrations that maintain coherence through the vibronically enhanced energy transfer process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Unraveling higher-order contributions to spin excitations probed using resonant inelastic x-ray scattering

Resonant inelastic x-ray scattering (RIXS) is an evolving tool for investigating the spin dynamics of strongly correlated materials, which complements inelastic neutron scattering. In isotropic spin-$\frac{1}{2}$ Heisenberg antiferromagnetic (HAFM) spin chains, both techniques have observed non-spin-conserving (NSC) excitations confined to the two-spinon phase space. However, a recent O K-edge RIXS study of the one-dimensional HAFM Sr 2 CuO 3 observed spin-conserving (SC) four-spinon excitations outside the two-spinon phase space. Here, we demonstrate that analogous four-spinon excitations can also be accessed at the Cu L 3 edge in the related material SrCuO 2 . Through detailed modeling, we establish that these excitations appear in both the SC and NSC channels of the Cu L 3 edge, and are only captured by higher-order terms in the ultrashort core-hole lifetime expansion. Finally, since these terms encode information about spin-spin correlations extending beyond nearest neighbors, our results offer different possibilities for studying nonlocal spin correlations in quantum magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Uncovering extreme nonlinear dynamics in solids through time-domain field analysis

Time-domain analysis of harmonic fields with sub-cycle resolution is now experimentally viable due to the emergence of sensitive, on-chip techniques for petahertz-scale optical-field sampling. We demonstrate how such a time-domain, field-resolved analysis uncovers the extreme nonlinear electron dynamics responsible for high-harmonic generation within solids. Time-dependent density functional theory was used to simulate harmonic generation from a solid-state band-gap system driven by near- to mid-infrared waveforms. Particular attention was paid to regimes where both intraband and interband emission mechanisms play a critical role in shaping the nonlinear response. We show that a time-domain analysis of the harmonic radiation fields identifies the interplay between intra- and interband dynamical processes underlying the nonlinear light generation. With further analysis, we show that changes to the dominant emission regime can occur after only slight changes to the peak driving intensity and central driving wavelength. Furthermore, time-domain analysis of harmonic fields also reveals, for the first time, the possibility of rapid changes in the dominant emission mechanism within the temporal window of the driving pulse envelope. Finally, we examine the experimental viability of performing time-domain analysis of harmonic fields with sub-cycle resolution using realistic parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Thermalization from quantum entanglement: Jet simulations in the massive Schwinger model

We investigate the emergence of thermalization in a quantum-field-theoretic model mimicking the production of jets in QCD: the massive lattice Schwinger model coupled to external sources. Specifically, we compute the expectation values of local operators as functions of time and compare them to their thermal counterparts, quantify the overlap between the evolving density matrix and the thermal one, and compare the dynamics of the energy-momentum tensor to predictions from relativistic hydrodynamics. Through these studies, we find that the system approaches thermalization at late times and elucidate the mechanisms by which quantum entanglement drives thermalization in closed field-theoretic systems. Our results show how thermodynamic behavior emerges in real time from unitary quantum dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

High-speed joint-transform optical image correlator using GaAs/AlGaAs semi-insulating multiple quantum wells and diode lasers

We demonstrate a compact real-time optical image correlator using diode lasers and a semi-insulating GaAs/AlGaAs multiple-quantum-well (SI-MQW) device as the holographic element. With only 3 mW of power incident upon the SI-MQW device, the correlation is obtained in 1 microsec and can be erased in as fast as 2 microsec, which presents the possibility of a system capable of 3 x 10 exp 5 correlations/s. We also show that images can be stored for a controllable length of time (2-25 microsec), which presents possibilities for the use of the SI-MQW device as a data or image buffer memory.

Partovi, A.↗
DOE OSTI2024

A linear response framework for quantum simulation of bosonic and fermionic correlation functions

Response functions are a fundamental aspect of physics; they represent the link between experimental observations and the underlying quantum many-body state. However, this link is often under-appreciated, as the Lehmann formalism for obtaining response functions in linear response has no direct link to experiment. Within the context of quantum computing, and via a linear response framework, we restore this link by making the experiment an inextricable part of the quantum simulation. This method can be frequency- and momentum-selective, avoids limitations on operators that can be directly measured, and can be more efficient than competing methods. As prototypical examples of response functions, we demonstrate that both bosonic and fermionic Green’s functions can be obtained, and apply these ideas to the study of a charge-density-wave material on the ibm_auckland superconducting quantum computer. The linear response method provides a robust framework for using quantum computers to study systems in physics and chemistry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Quantum multi-programming for Grover’s search

Quantum multi-programming is a method utilizing contemporary noisy intermediate-scale quantum computers by executing multiple quantum circuits concurrently. Despite early research on it, the research remains on quantum gates or small-size quantum algorithms without correlation. In this paper, we propose a quantum multi-programming (QMP algorithm for Grover's search. Our algorithm decomposes Grover's algorithm by the partial diffusion operator and executes the decomposed circuits in parallel by QMP. We proved that this new algorithm increases the rotation angle of the Grover operator which, as a result, increases the success probability. The new algorithm is implemented on IBM quantum computers and compared with the canonical Grover's algorithm and other variations of Grover's algorithms. So, the empirical tests validate that our new algorithm outperforms other variations of Grover's algorithms as well as the canonical Grover's algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Charge density waves in the 2.5-dimensional quantum heterostructure

Charge density wave (CDW) and their interplay with correlated and topological quantum states are at the forefront of condensed matter research. The 4H b -TaS 2 is a CDW ordered quantum heterostructure that is formed by alternative stacking of Mott insulating 1T-TaS 2 and Ising superconducting 1H-TaS 2 . While the $\sqrt{13}$ ×$\sqrt{13}$ and 3 × 3 CDWs have been respectively observed in the bulk 1T-TaS 2 and 2H-TaS 2 , the CDWs and their pivotal role for unconventional superconductivity in the 4⁢Hb-TaS 2 remain unsolved. In this Letter, we reveal the two-dimensional (2D) $\sqrt{13}$ ×$\sqrt{13}$ chiral CDW in the 1T layers and intraunit cell coupled 2D 2 × 2 CDW in the 1H and 1H' layers of 4⁢H b -TaS 2 . Here, our results establish 4⁢H b -TaS 2 a 2.5D quantum heterostructure, where 2D quantum states emerge from 3D crystalline structure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Out-of-time-ordered-correlators for the pure inverted quartic oscillator: classical chaos meets quantum stability

Out-of-time-ordered-correlators (OTOCs) have been suggested as a means to diagnose chaotic behavior in quantum mechanical systems. Recently, it was found that OTOCs display exponential growth for the inverted quantum harmonic oscillator, mirroring the fact that this system is classically and quantum mechanically unstable. In this work, I study OTOCs for the inverted anharmonic (pure quartic) oscillator in quantum mechanics, finding only oscillatory behavior despite the classically unstable nature of the system. For higher temperature, OTOCs seem to exhibit saturation consistent with a value of –2< x 2 > T < p 2 > T at late times. I provide analytic evidence from the spectral zeta-function and the WKB method as well as direct numerical solutions of the Schrödinger equation that the inverted quartic oscillator possesses a real and positive energy eigenspectrum, and normalizable wave-functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Holographic open quantum systems: toy models and analytic properties of thermal correlators

We present a unified picture of open quantum systems, the theory of a system probing a noisy thermal environment, distilling lessons learnt from previous holographic analyses. Our treatment is applicable both when the system is coupled to short-lived (Markovian), and long-lived (non-Markovian) environmental degrees of freedom. The thermal environment is modeled using an asymptotically AdS black hole, and the systems of interest are simple probe field theories. The effective stochastic dynamics of the system is governed by real-time thermal correlators, which we compute using the gravitational Schwinger-Keldysh (grSK) geometry. We describe the structure of arbitrary tree-level contact and exchange Witten diagrams in the grSK geometry. In particular, we argue, that all such diagrams reduce to integrals supported on a single copy of the exterior of the black hole. The integrand is obtained as a multiple discontinuity of a function comprising ingoing boundary-bulk propagators, monodromy functions which appear as radial Boltzmann weights, and vertex factors. These results allow us to deduce the analytic structure of real-time thermal n-point functions in holographic CFTs. We illustrate the general statements by a two-dimensional toy model, dual to fields in the BTZ background, which we argue captures many of the essential features of generic open holographic QFTs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Magnetic properties of a spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ honeycomb lattice

The interplay between spin-orbit coupling, anisotropic magnetic interaction, frustration-induced quantum fluctuations, and spin correlations can lead to novel quantum states with exotic excitations in rare-earth-based quantum magnets. Herein, we present the crystal structure, magnetization, electron spin resonance (ESR), specific heat, and nuclear magnetic resonance (NMR) experiments on the polycrystalline samples of $\mathrm{Ba_9}$$\mathrm{Yb_2}$$\mathrm{Si_6}$$\mathrm{O_{24}}$, in which $\mathrm{Yb^{3+}}$ ions form a perfect honeycomb lattice without detectable antisite disorder. The magnetization data reveal antiferromagnetically coupled spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ degrees of freedom of $\mathrm{Yb^{3+}}$ ions in the Kramers doublet state. The ESR measurements reveal that the first excited Kramers doublet is 32.3(7) meV above the ground state. The specific heat results suggest the absence of any long-range magnetic order in the measured temperature range. Furthermore, the $\mathrm{^{29}Si}$ NMR results do not indicate any signature of magnetic ordering down to 1.6 K, and the spin-lattice relaxation rate reveals the presence of a field-induced gap that is attributed to the Zeeman splitting of the Kramers doublet state in this quantum material. Here, our experiments detect neither spin freezing nor long-range magnetic ordering down to 1.6 K. The current results suggest the presence of short-range spin correlations in this spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ rare-earth magnet on a honeycomb lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantum mechanical out-of-time-ordered-correlators for the anharmonic (quartic) oscillator

Out-of-time-ordered correlators (OTOCs) have been suggested as a means to study quantum chaotic behavior in various systems. In this work, I calculate OTOCs for the quantum mechanical anharmonic oscillator with quartic potential, which is classically integrable and has a Poisson-like energy-level distribution. For low temperature, OTOCs are periodic in time, similar to results for the harmonic oscillator and the particle in a box. For high temperature, OTOCs exhibit a rapid (but power-like) rise at early times, followed by saturation consistent with 2 < x 2 >T < p 2 > T at late times. At high temperature, the spectral form factor decreases at early times, bounces back and then reaches a plateau with strong fluctuations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Quantum-classical hybrid algorithm for the simulation of all-electron correlation

While chemical systems containing hundreds to thousands of electrons remain beyond the reach of quantum devices, hybrid quantum-classical algorithms present a promising pathway toward a quantum advantage. Hybrid algorithms treat the exponentially scaling part of the calculation-the static correlation-on the quantum computer and the non-exponentially scaling part-the dynamic correlation-on the classical computer. While a variety of algorithms have been proposed, the dependence of many methods on the total wave function limits the development of easy-to-use classical post-processing implementations. Here, we present a novel combination of quantum and classical algorithms, which computes the all-electron energy of a strongly correlated molecular system on the classical computer from the 2-electron reduced density matrix (2-RDM) evaluated on the quantum device. Significantly, we circumvent the wave function in the all-electron calculations by using density matrix methods that only require input of the statically correlated 2-RDM. Although the algorithm is completely general, we test it with two classical density matrix methods, the anti-Hermitian contracted Schrödinger equation (ACSE) and multiconfiguration pair-density functional theories, using the recently developed quantum ACSE method for simulating the statically correlated 2-RDM. Furthermore, we obtain experimental accuracy for the relative energies of all three benzyne isomers and thereby demonstrate the ability of the developed algorithm to achieve chemically relevant and accurate results on noisy intermediate-scale quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Breaking electron pairs in the pseudogap regime of SmTiO 3 − SrTiO 3 − SmTiO 3 quantum wells

The strongly correlated two-dimensional electron liquid within SmTiO 3 /SrTiO 3 /SmTiO 3 quantum well structures exhibits a pseudogap phase when the quantum well width is sufficiently narrow. Using low-temperature transport and optical experiments that drive the quantum-well system out of equilibrium, we find evidence of mobile, long-lived, negatively charged quasiparticles, consistent with the idea that the pseudogap phase arises from strongly bound electron pairs. As a result, these experimental results establish a connection between quantum confinement and enhanced electron pairing, which may provide a pathway to higher-temperature superconductors.

Correlated electronics↗