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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Superdiffusion resilience in Heisenberg chains with two-dimensional interactions on a quantum processor

Superdiffusive spin transport in the one-dimensional (1D) Heisenberg model is a key theoretical discovery in nonequilibrium quantum many-body physics. Although extensively studied in 1D systems, the breakdown and sustenance of superdiffusion in two-dimensional (2D) lattices with integrability-breaking terms, as found in real materials, remains an open question. To address this, we develop a toy model that extends the 1D Heisenberg model with a representative set of 2D interaction types and tunable strengths. Our model exhibits varying degrees of superdiffusion breakdown depending on the interaction type, spanning ballistic to diffusive regimes. We establish and justify a hierarchy of 2D interactions based on their resilience against superdiffusion breakdown: Heisenberg >𝑋⁢𝑋 > Ising. This precise control over the superdiffusive behavior also enables rigorous benchmarking of quantum hardware, and our simulations on IBM's Heron devices confirm the hardware's ability to accurately capture these many-body nonequilibrium phenomena. Overall, our results are relevant not only to simulating superdiffusion in real materials, such as the 1D Heisenberg compound KCuF3, which contains modest nonintegrable 2D terms, but also to extending superdiffusive behavior to larger 2D qubit lattices and other 2D materials.

Alagarsamy Manikandan, Keerthi Kumaran [ORNL]↗
DOE OSTI2020

Dynamical quantum phase transitions in interacting atomic interferometers

Particle-wave duality has allowed physicists to establish atomic interferometers as celebrated complements to their optical counterparts in a broad range of quantum devices. In particular, interactions give rise to multiparticle correlations unavailable in linear interferometers. Here, we show that interactions lead to dynamical quantum phase transitions (DQPTs) between NOON states in an atomic interferometer. These transition points result from zeros of the Loschmidt echo, which approach the real axis of the complex time plane in the large-particle-number limit, and signify pair condensates, another type of exotic quantum states featured with prevailing two-body correlations. Such DQPTs thus provide us with a new angle to understand many-body states emergent from quantum nonequilibrium dynamics. Further, our work also suggests interacting atomic interferometers as a new tool for creating highly entangled states to beat the standard quantum limit.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Selective acoustic control of photon-mediated qubit-qubit interactions

Quantum technologies such as quantum sensing, quantum imaging, quantum communications, and quantum computing rely on the ability to actively manipulate the quantum state of light and matter. Quantum emitters, such as color centers trapped in solids, are a useful platform for the realization of elementary building blocks (qubits) of quantum information systems. In particular, the modular nature of such solid-state devices opens up the possibility to connect them into quantum networks and create nonclassical states of light shared among many qubits. The function of a quantum network relies on efficient and controllable interactions among individual qubits. In this context, we present a scheme where optically active qubits of differing excitation energies are mutually coupled via a dispersive interaction with a shared mode of an optical cavity. This generally off-resonant interaction is prohibitive of direct exchange of information among the qubits. However, we propose a scheme in which by acoustically modulating the qubit excitation energies it is, in fact, possible to tune to resonance a preselected pair of qubits and thus open a communication channel between them. This method potentially enables fast (approximately nanoseconds) and parallelizable on-demand control of a large number of physical qubits. In this work, we develop an analytical and a numerical theoretical model demonstrating this principle and suggest feasible experimental scenarios to test the theoretical predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Superfluid transition temperature and fluctuation theory of spin-orbit- and Rabi-coupled fermions with tunable interactions

Here, we obtain the superfluid transition temperature of equal Rashba-Dresselhaus spin-orbit- and Rabi-coupled Fermi superfluids, from the Bardeen-Cooper-Schrieffer (BCS) to Bose-Einstein condensate (BEC) regimes in three dimensions for tunable s-wave interactions. In the presence of Rabi coupling, we find that spin-orbit coupling enhances (reduces) the critical temperature in the BEC (BCS) limit. For fixed interactions, we show that spin-orbit coupling can convert a first-order (discontinuous) phase transition into a second-order (continuous) phase transition, as a function of Rabi coupling. We derive the Ginzburg-Landau free energy to sixth power in the superfluid order parameter to describe both continuous and discontinuous phase transitions as a function of spin-orbit and Rabi couplings. Lastly, we develop a time-dependent Ginzburg-Landau fluctuation theory for an arbitrary mixture of Rashba and Dresselhaus spin-orbit couplings at any interaction strength.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Controlling Antiferromagnetic Magnon Polarization by Interfacial Exchange Interaction

We demonstrate highly efficient control of antiferromagnetic (AFM) magnon spins by the interfacial exchange interaction in heterostructures of ferrimagnetic yttrium iron garnet (YIG) and AFM Cr 2 O 3 . At low temperatures, Cr 2 O 3 is antiferromagnetically ordered. The interfacial exchange interaction exerted by YIG lifts the degeneracy between the AFM magnon modes in Cr 2 O 3 , resulting in a net spin polarization and a spin current dominated by left-handed magnons, even at zero magnetic field, which is detected by the spin Seebeck effect with a 5-nm-thick Pt film. In the AFM magnon-dominated region, even if the magnetic field is not sufficiently strong to induce the spin-flop transition in Cr 2 O 3 , the total spin Seebeck signal polarity flips when the YIG magnetization switches. It clearly indicates that the Cr 2 O 3 magnon polarization is controlled by YIG magnetization through the interfacial exchange interaction. The demonstration of the efficient control of AFM magnon polarization opens a pathway to manipulate AFM magnon quantum states using FM-AFM heterostructures.

42 ENGINEERING↗
DOE OSTI2020

Rotational transition, domain formation, dislocations, and defects in vortex systems with combined sixfold and twelvefold anisotropic interactions

We introduce a phenomenological model for a pairwise repulsive interaction potential of vortices in a type-II superconductor, consisting of superimposed sixfold and twelvefold anisotropies. Using numerical simulations we study how the vortex lattice configuration varies as the magnitudes of the two anisotropic interaction terms change. A triangular lattice appears for all values, and rotates through 30 ° as the ratio of the sixfold and twlevefold anisotropy amplitudes is varied, in agreement with experimental results. The transition causes the vortex lattice to split into domains that have rotated clockwise or counterclockwise, with grain boundaries that are “decorated” by dislocations consisting of fivefold and sevenfold coordinated vortices. We also find intradomain dislocations and defects, and characterize them in terms of their energy cost. We discuss how this model could be generalized to other particle-based systems with anisotropic interactions, such as colloids, and consider the limit of very large anisotropy where it is possible to create cluster crystal states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Noncollinear magnetic configurations and substrate-mediated interactions in Mn trimers on the GaN (000$\bar{1}$) surface

Collinear and noncollinear calculations based on density functional theory are carried out to elucidate the magnetic ordering of Mn trimers on a GaN ($000\bar{1}$) substrate. These trimers had previously been observed in $3a \times 3a$ surface reconstructions through Mn deposition onto the N-polar face of wurtzite GaN($000\bar{1}$). In this work, we start off by studying the effect of spin orbit coupling for the case of monomers and dimers of Mn atoms on top of a GaN surface. Based on an effective spin Hamiltonian, we estimate the magnetic anisotropy energy (MAE) for those cases and found that it is four orders of magnitude weaker than the exchange magnetic coupling between Mn adatoms. In the Mn trimer case, the magnetic ground state has the Mn spins in-plane with the GaN surface in which the relative spin orientation within each trimer is noncollinear due to the competition between the two antiferromagnetic interactions that affect each Mn spin in the trimer, which leads to the found energy minimum with 120 degree angles between the spins. By exploring the nature and fundamental mechanisms for the magnetic interaction among the Mn trimers, we find that the surface states of the substrate play a key role, involving a Ruderman-Kittel-Kasuya-Yosida (RKKY)-type interaction. We report on an electron-mediated long-distance exchange coupling between localized magnetic moments on a GaN($000\bar{1}$) surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Nematic antiferromagnetism and deconfined criticality from the interplay between electron-phonon and electron-electron interactions

Systems with strong electron-phonon couplings typically exhibit various forms of charge order, while strong electron-electron interactions lead to magnetism. In this work, we use determinant quantum Monte Carlo calculations to solve a model on a square lattice with a caricature of these interactions. In the limit where electron-electron interactions dominate it has antiferromagnetic order, while where electron-phonon coupling dominates there is columnar valence-bond-solid (VBS) order. We find an intervening phase that hosts coexisting nematic and antiferromagnetic orders. We have also found evidence of a Landau-forbidden continuous quantum phase transition with an emergent O(4) symmetry between the VBS and the nematic antiferromagnetic phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Dispersion interactions in proposed covalent superhydride superconductors

Recent developments in high temperature superconducting materials under high pressure have made numerical evaluation of the superconducting transition temperature (T c ) of predicted materials critically important as a means to identification. Existing methods of calculating T c often do not agree with each other or experiment, often due to the large number of complex factors that contribute to this property; among them is the neglect of dispersion interactions in commonly used density functionals. We evaluate the effect of including dispersion interactions on the predicted superconducting properties of two examples of the covalent superhydride class of very high-T c superconducting materials. In both cases, dispersion is found to have sizable effects, increasing the electron-phonon coupling as compared to the reference case of elemental niobium. A detailed investigation traces the origin of this effect in a 270 GPa $\mathrm {R3m CSH_7}$ structure to structural distortions driven by long-range electron-phonon interactions rather than novel bonding networks.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Reshaped Weyl fermionic dispersions driven by Coulomb interactions in MoTe 2

In this work, we report the direct evidence of impacts of the Coulomb interaction in a prototypical Weyl semimetal, MoTe 2 , that alter its bare bands in a wide range of energy and momentum. Our quasiparticle interference patterns measured using scanning tunneling microscopy are shown to match the joint density of states of quasiparticle energy bands including momentum-dependent self-energy corrections, while electronic energy bands based on the other simpler local approximations of the Coulomb interaction fail to explain neither the correct number of quasiparticle pockets nor the shape of their dispersions observed in our spectrum. With this, we predict a transition between type-I and type-II Weyl fermions with doping and resolve its disparate quantum oscillation experiments, thus highlighting the critical roles of Coulomb interactions in layered Weyl semimetals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Nonclassical light from finite-range interactions in a two-dimensional quantum mirror

Excitons in a semiconductor monolayer form a collective resonance that can reflect resonant light with extraordinarily high efficiency. We investigate the nonlinear optical properties of such atomistically thin mirrors and show that finite-range interactions between excitons can lead to the generation of highly nonclassical light. We describe two scenarios, in which optical nonlinearities arise either from direct photon coupling to excitons in excited Rydberg states or from resonant two-photon excitation of Rydberg excitons with finite-range interactions. The latter case yields conditions of electromagnetically induced transparency and thereby provides an efficient mechanism for single-photon switching between high transmission and reflectance of the monolayer, with a tunable dynamical timescale of the emerging photon-photon interactions. Remarkably, it turns out that the resulting high degree of photon correlations remains virtually unaffected by Rydberg-state decoherence, in excess of nonradiative decoherence observed for ground-state excitons in two-dimensional semiconductors. This robustness to imperfections suggests a promising approach to quantum photonics at the level of individual photons.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Relaxation and darkening of excitonic complexes in electrostatically doped monolayer $\mathrm{WSe_2}$: Roles of exciton-electron and trion-electron interactions

Here we present photoluminescence measurements in monolayer $\mathrm{WSe_2}$, which point to the importance of the interaction between charged particles and excitonic complexes. The theoretical analysis highlights the key role played by exchange scattering, referring to cases wherein the particle composition of the complex changes after the interaction. For example, exchange scattering renders bright excitonic complexes dark in monolayer $\mathrm{WSe_2}$ on accounts of the unique valley-spin configuration in this material. In addition to the ultrafast energy relaxation of hot excitonic complexes following their interaction with electrons or holes, our analysis sheds light on several key features that are commonly seen in the photoluminescence of this monolayer semiconductor. In particular, we can understand why the photoluminescence intensity of the neutral bright exciton is strongest when the monolayer is hole doped rather than charge neutral or electron doped. Similarly, we can understand the reason for the dramatic increase of the photoluminescence intensity of negatively charged excitons (trions) as soon as electrons are added to the monolayer. To self-consistently explain the findings, we further study the photoluminescence spectra at different excitation energies and analyze the behavior of the elusive indirect exciton.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Magnetic structure and exchange interactions in the Heisenberg pyrochlore antiferromagnet Gd 2 Pt 2 O 7

In this report the Heisenberg pyrochlore antiferromagnet Gd 2 Pt 2 O 7 is one of a series of gadolinium pyrochlore compounds with a variety of B-site cations. Despite the expected simplicity of a spin-only Gd 3+ Heisenberg interaction model, the gadolinium pyrochlore series exhibits various complex magnetic ground states at low temperature. Gd 2 Pt 2 O 7 displays the highest temperature magnetic order of the series with $T_N$=1.6 K, which has been attributed to enhanced superexchange pathways facilitated by empty $5d$ $e_g$ Pt orbitals. In this study, we use various neutron scattering techniques on an isotopically enriched polycrystalline 160 Gd 2 Pt 2 O 7 sample to examine the magnetic structure and spin-wave excitation spectrum below $T_N$ in order to extract the dominant exchange interactions. We find that the ground-state magnetic structure is the Palmer-Chalker state previously seen in Gd 2 Sn 2 O 7 with an associated gapped excitation spectrum consistent with enhanced exchange interactions between further near-neighbor Gd 3+ ions. We confirm this exchange model with analysis of the magnetic diffuse scattering in the paramagnetic regime using polarized neutrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Phonons in complex twisted crystals: Angular momenta, interactions, and topology

We report phonons and their interactions are critically important for a variety of energy-relevant applications ranging from low thermal resistance substrates to thermal barrier coatings. Fundamental insights into the nature of phonons and allowed interactions are governed by the underlying symmetries of the crystal lattice. In this paper, we provide a comprehensive and detailed description of lattice dynamics derived from twist symmetries of chiral and achiral crystals—twist dynamics. Phonon bands naturally carry quantized crystal angular momentum derived from rotational phases, which give insights into the nature of band crossings and avoided crossings, selection rules for phonon interactions, and topological band crossing behaviors. Twist dynamics is demonstrated for a variety of materials covering a range of space groups, symmetry operations, twist axis orientations, and constituent elements. Furthermore, twist symmetry offers insights into peculiar features observed in scattering measurements. In this context, we present inelastic neutron scattering measurements for rutile TiO 2 and explain them using twist dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Elementary excitations of a system of one-dimensional chiral fermions with short-range interactions

Here, we study general features of the excitation spectrum of a system of one-dimensional chiral spinless fermions with short-range interactions. We show that the nature of the elementary excitations of such a system depends strongly on the nonlinearity of the underlying dispersion of the fermions. In the case of quadratic nonlinearity, the low-momentum excitations are essentially fermionic quasiparticles and quasiholes, whereas the high-momentum ones are classical harmonic waves and solitons. In the case of cubic nonlinearity, the nature of the elementary excitations does not depend on momentum and is determined by the strength of the interactions. At a certain critical value of the interaction strength, the excitation spectrum changes qualitatively, pointing to a dynamic phase transition in the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Suppressed superexchange interactions in the cuprates by bond-stretching oxygen phonons

We study a multiorbital Hubbard–Su-Schrieffer-Heeger model for the one-dimensional (1D) corner-shared cuprates in the adiabatic and nonadiabatic limits using exact diagonalization and determinant quantum Monte Carlo. At half filling and in the adiabatic limit, lattice dimerization can be achieved only over a narrow range of couplings slightly below a critical coupling g c . Beyond this value, the sign of the effective hopping changes, and the lattice becomes unstable. Strong lattice fluctuations replace the dimerization state in the nonadiabatic case. We also examine the model's temperature-dependent uniform and dynamical magnetic susceptibilities and compare them to the results of an effective spin-1/2 Heisenberg model. In doing so, we demonstrate that lattice fluctuations induced by the e-ph interaction suppress the effective superexchange interaction when g < g c . Furthermore, our results elucidate the effect of bond-stretching phonons in the parent cuprate compounds in general and are particularly relevant to 1D cuprates, where strong e-ph interactions have recently been inferred.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterization and classification of interacting ( 2 + 1 )-dimensional topological crystalline insulators with orientation-preserving wallpaper groups

While free fermion topological crystalline insulators have been largely classified, the analogous problem in the strongly interacting case has been only partially solved. In this work, we develop a characterization and classification of interacting, invertible fermionic topological phases in (2+1) dimensions with charge conservation, discrete magnetic translation and M-fold point group rotation symmetries, which form the group G f = U(1) f × Φ [Z 2 $\rtimes$Z M ] for M = 1,2,3,4, and 6. Φ is the magnetic flux per unit cell. We derive a topological response theory in terms of background crystalline gauge fields, which gives a complete classification of different phases and a physical characterization in terms of quantized response to symmetry defects. We then derive the same classification in terms of a set of real space invariants {$Θ^±_o$} that can be obtained from ground state expectation values of suitable partial rotation operators. We explicitly relate these real space invariants to the quantized coefficients in the topological response theory, and find the dependence of the invariants on the chiral central charge c – of the invertible phase. Finally, when Φ = 0 we derive an explicit map between the free and interacting classifications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tunneling between two systems of interacting chiral fermions

Here, we develop a theory of tunneling between two systems of spinless chiral fermions. This setup can be realized at the edge of a quantum Hall bilayer structure. We find that the differential conductance of such a device in the absence of interactions has an infinitely sharp peak as a function of applied voltage. Interaction between fermions results in broadening of the conductance peak. We focus on the regime of strong interactions, in which the shape of the peak manifests well defined features associated with the elementary excitations of the system.

36 MATERIALS SCIENCE↗