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Results for “Exact Diagonalization”

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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Robust non-Abelian spin liquid and a possible intermediate phase in the antiferromagnetic Kitaev model with magnetic field

In this work, we investigate the non-Abelian topological chiral spin-liquid phase in the two-dimensional Kitaev honeycomb model subject to a magnetic field. By combining density matrix renormalization group and exact diagonalization we study the energy spectra, entanglement, topological degeneracy, and expectation values of Wilson loop operators, allowing for a robust characterization. While the ferromagnetic Kitaev spin liquid is already destroyed by a weak magnetic field with Zeeman energy $H^{FM}_\ast ≈ 0.02$, the antiferromagnetic (AFM) spin liquid remains robust up to a magnetic field that is an order of magnitude larger, $H^{AFM}_\ast ≈ 0.2$. Interestingly, for larger fields $H^{AFM}_\ast < H < H^{AFM}_{\ast\ast}$, an intermediate gapless phase is observed, before a second transition to the high-field partially polarized paramagnet. We attribute this rich phase diagram, and the remarkable stability of the chiral topological phase in the AFM Kitaev model, to the interplay of strong spin-orbit coupling and frustration enhanced by the magnetic field. Our findings suggest relevance to recent experiments on RuCl 3 under magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Formation of helical domain walls in the fractional quantum Hall regime as a step toward realization of high-order non-Abelian excitations

We propose an experimentally feasible platform to realize parafermions (high-order non-Abelian excitations) based on spin transitions in the fractional quantum Hall effect regime. As a proof of concept we demonstrate a local control of the spin transition at a filling factor 2/3 and formation of a conducting fractional helical domain wall (fhDW) along a gate boundary. Coupled to an 𝑠-wave superconductor these fhDWs are expected to support parafermionic excitations. Here, we present exact diagonalization numerical studies of fhDWs and show that they indeed possess electronic and magnetic structures needed for the formation of parafermions. A reconfigurable network of fhDWs will allow manipulation and braiding of parafermionic excitations in multigate devices.

Anyons↗
DOE OSTI2018

Density-functional theory for systems with noncollinear spin: Orbital-dependent exchange-correlation functionals and their application to the Hubbard dimer

Here, a class of orbital-dependent exchange-correlation potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential formalism for the exact exchange potential—generalized to the noncollinear case—correlation effects are added via a self-consistent procedure inspired by the Singwi-Tosi-Land-Sjölander method. The orbital-dependent exchange-correlation potentials are applied to the Hubbard dimer in uniform and noncollinear magnetic fields and compared to exact diagonalization and to the Bethe-ansatz local spin-density approximation. The Singwi-Tosi-Land-Sjölander method gives the overall best performance for total energies, densities, and magnetizations, particularly in the weakly to moderately correlated regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Classical and quantum spin dynamics of the honeycomb Γ model

Quantum-to-classical crossover is a fundamental question in dynamics of quantum many-body systems. In frustrated magnets, for example, it is highly nontrivial to describe the crossover from the classical spin liquid with a macroscopically degenerate ground-state manifold to the quantum spin liquid phase with fractionalized excitations. This is an important issue, as we often encounter the demand for a sharp distinction between the classical and quantum spin liquid behaviors in real materials. Here we take the example of the classical spin liquid in a frustrated magnet with novel bond-dependent interactions to investigate the classical dynamics, and critically compare it with quantum dynamics in the same system. In particular, we focus on signatures in the dynamical spin structure factor. Combining Landau-Lifshitz dynamics simulations and the analytical Martin-Siggia-Rose approach, we show that the low-energy spectra are described by relaxational dynamics and highly constrained by the zero mode structure of the underlying degenerate classical manifold. Further, the higher energy spectra can be explained by precessional dynamics. Surprisingly, many of these features can also be seen in the dynamical structure factor in the quantum model studied by finite-temperature exact diagonalization. Here, we discuss the implications of these results and their connection to recent experiments on frustrated magnets with strong spin-orbit coupling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Theory of time-resolved Raman scattering in correlated systems: Ultrafast engineering of spin dynamics and detection of thermalization

Ultrafast characterization and control of many-body interactions and elementary excitations are critical to understanding and manipulating emergent phenomena in strongly correlated systems. In particular, spin interaction plays an important role in unconventional superconductivity, but efficient tools for probing spin dynamics, especially out of equilibrium, are still lacking. To address this question, we develop a theory for nonresonant time-resolved Raman scattering, which can be a generic and powerful tool for nonequilibrium studies. We also use exact diagonalization to simulate the pump-probe dynamics of correlated electrons in the square-lattice single-band Hubbard model. Different ultrafast processes are shown to exist in the time-resolved Raman spectra and dominate under different pump conditions. For high-frequency and off-resonance pumps, we show that the Floquet theory works well in capturing the softening of bimagnon excitation. By comparing the Stokes and anti-Stokes spectra, we also show that effective heating dominates at small pump fluences, while a coherent many-body effect starts to take over at larger pump amplitudes and frequencies on resonance to the Mott gap. In conclusion, time-resolved Raman scattering thereby provides the platform to explore different ultrafast processes and design material properties out of equilibrium.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Magnetic anisotropy of the alkali iridate Na 2 IrO 3 at high magnetic fields: Evidence for strong ferromagnetic Kitaev correlations

The magnetic-field response of the Mott-insulating honeycomb iridate Na 2 IrO 3 is investigated using torque magnetometry measurements in magnetic fields up to 60 T. A peak-dip structure is observed in the torque response at magnetic fields corresponding to an energy scale close to the zigzag ordering (≈15 K) temperature. Using exact diagonalization calculations, we show that such a distinctive signature in the torque response constrains the effective spin models for these classes of Kitaev materials to ones with dominant ferromagnetic Kitaev interactions, while alternative models with dominant antiferromagnetic Kitaev interactions are excluded. We further show that, at high magnetic fields, long range spin correlation functions decay rapidly, pointing to a transition to a long-sought-after field-induced quantum spin liquid beyond the peak-dip structure, suggesting this to be a common feature of the family of Kitaev systems. Finally, Kitaev systems are thus revealed to be excellent candidates for field-induced quantum spin liquids, similar physics having been suggested in another Kitaev system α-RuCl 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Sachdev-Ye-Kitaev model on a noisy quantum computer

Here we study the SYK model -- an important toy model for quantum gravity on IBM's superconducting qubit quantum computers. By using a graph-coloring algorithm to minimize the number of commuting clusters of terms in the qubitized Hamiltonian, we find the gate complexity of the time evolution using the first-order product formula for N Majorana fermions is $\mathscr{O}$(N 5 J 2 t 2 /ε) where J is the dimensionful coupling parameter, t is the evolution time, and ε is the desired precision. With this improved resource requirement, we perform the time evolution for N=6,8 with maximum two-qubit circuit depth of 343. We perform different error mitigation schemes on the noisy hardware results and find good agreement with the exact diagonalization results on classical computers and noiseless simulators. In particular, we compute return probability after time t and out-of-time order correlators (OTOC) which is a standard observable of quantifying the chaotic nature of quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Toward a classification of PT-symmetric quantum systems: From dissipative dynamics to topology and wormholes

Studies of many-body non-Hermitian parity-time (PT)-symmetric quantum systems are attracting a lot of interest due to their relevance in research areas ranging from quantum optics and continuously monitored dynamics to Euclidean wormholes in quantum gravity and dissipative quantum chaos. While a symmetry classification of non-Hermitian systems leads to 38 universality classes, we show that, under certain conditions, PT-symmetric systems are grouped into 24 universality classes. We identify 14 of them in a coupled two-site Sachdev-Ye-Kitaev (SYK) model and confirm the classification by spectral analysis using exact diagonalization techniques. Intriguingly, in 4 of these 14 universality classes, AIII ν , BDI ν † , BDI + + ν , and CI − − ν , we identify a basis in which the SYK Hamiltonian has a block structure in which some blocks are rectangular, with ν ∈ N the difference between the number of rows and columns. We show analytically that this feature leads to the existence of ν robust purely eigenvalues, whose level statistics follow the predictions of Hermitian random matrix theory for classes A, AI, BDI, and CI, respectively. We have recently found that this ν is a topological invariant, so these classes are topological. By contrast, nontopological real eigenvalues display a crossover between Hermitian and non-Hermitian level statistics. Similarly to the case of Lindbladian dynamics, the reduction of universality classes leads to unexpected results, such as the absence of Kramers degeneracy in a given sector of the theory. Another novel feature of the classification scheme is that different sectors of the PT-symmetric Hamiltonian may have different symmetries. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Quasifragmentation functions in the massive Schwinger model

We introduce the concept of the quark quasifragmentation function (qFF) using an equal-time and spatially boosted form of the Collins-Soper fragmentation function where the out-meson fragment is replaced by the current asymptotic condition. We derive the qFF for a fermion in two-dimensional quantum electrodynamics (QED2) using the Kogut-Susskind Hamiltonian after a mapping onto spin qubits in a spatial lattice with open boundary conditions. This form is suitable for quantum computations. We compute the qFF by exact diagonalization of the spin Hamiltonian. The results are compared to the qFF following from the Drell-Levy-Yan result for QED2, both at strong and weak coupling, and to two-dimensional quantum chromodynamics in the lowest Fock approximation.

Fragmentation functions↗
DOE OSTI2025

Flavor patterns of fundamental particles from quantum entanglement?

The Cabibbo-Kobayashi-Maskawa (CKM) matrix, which controls flavor mixing between the three generations of quark fermions, is a key input to the standard model of particle physics. In this paper, we identify a surprising connection between quantum entanglement and the degree of quark mixing. Focusing on a specific limit of 2 → 2 quark scattering mediated by electroweak bosons, we find that the quantum entanglement generated by scattering is minimized when the CKM matrix is almost (but not exactly) diagonal, in qualitative agreement with observation. With the discovery of neutrino masses and mixings, additional angles are needed to parametrize the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) matrix in the lepton sector. Applying the same logic, we find that quantum entanglement is minimized when the PMNS matrix features two large angles and a smaller one, again in qualitative agreement with observation, plus a hint for suppressed C P violation. We speculate on the (unlikely but tantalizing) possibility that minimization of quantum entanglement might be a fundamental principle that determines particle physics input parameters. Published by the American Physical Society 2025

Thaler, Jesse (ORCID:0000000224068160)↗
DOE OSTI2025

Emergent hydrodynamic mode on SU(2) plaquette chains and quantum simulation

We search for emergent hydrodynamic modes in real-time Hamiltonian dynamics of 2+1-dimensional SU(2) lattice gauge theory on a quasi-one-dimensional plaquette chain, by numerically computing symmetric correlation functions of energy densities on lattice sizes of about 20 with the local Hilbert space truncated at 𝑗 max = $\frac{1}{2}$. Because of the Umklapp processes, we only find a mode for energy diffusion. The symmetric correlator exhibits transport peak near zero frequency with a width approximately proportional to momentum squared at small momentum, when the system is fully quantum ergodic, as indicated by the eigenenergy level statistics. This transport peak leads to a power-law 𝑡 −$\frac{1}{2}$ decay of the symmetric correlator at late time, also known as the long-time tail, as well as diffusionlike spreading in position space. We also introduce a quantum algorithm for computing the symmetric correlator on a quantum computer and find it gives results consistent with exact diagonalization when tested on the IBM emulator. Finally we discuss the future prospect of searching for the sound modes.

Hamiltonian systems↗
DOE OSTI2017

Is a Trineutron Resonance Lower in Energy than a Tetraneutron Resonance?

Here, we present quantum Monte Carlo calculations of few-neutron systems confined in external potentials based on local chiral interactions at next-to-next-to-leading order in chiral effective field theory. The energy and radial densities for these systems are calculated in different external Woods-Saxon potentials. We assume that their extrapolation to zero external-potential depth provides a quantitative estimate of three- and four-neutron resonances. The validity of this assumption is demonstrated by benchmarking with an exact diagonalization in the two-body case. We find that the extrapolated trineutron resonance, as well as the energy for shallow well depths, is lower than the tetraneutron resonance energy. This suggests that a three-neutron resonance exists below a four-neutron resonance in nature and is potentially measurable. To confirm that the relative ordering of three- and four-neutron resonances is not an artifact of the external confinement, we test that the odd-even staggering in the helium isotopic chain is reproduced within this approach. Finally, we discuss similarities between our results and ultracold Fermi gases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Numerical Study of Quantum Hall Bilayers at Total Filling ν T = 1 : A New Phase at Intermediate Layer Distances

We view the phase diagram of quantum Hall bilayer systems with total filing ν T = 1/2 + 1/2 of the lowest Landau level as a function of layer distances d . Based on numerical exact diagonalization calculations, we obtain three distinct phases, including an exciton superfluid phase with spontaneous interlayer coherence at small d , a composite Fermi liquid at large d , and an intermediate phase for 1.1 < d/l B < 1.8 (l B is the magnetic length). The transition from the exciton superfluid to the intermediate phase is identified by (i) a dramatic change in the Berry curvature of the ground state under twisted boundary conditions on the two layers and (ii) an energy level crossing of the first excited state. The transition from the intermediate phase to the composite Fermi liquid is identified by the vanishing of the exciton superfluid stiffness. Moreover, from our finite-size study, the energy cost of transferring one electron between the layers shows an even-odd effect and possibly extrapolates to a finite value in the thermodynamic limit, indicating the enhanced intralayer correlation. Our identification of an intermediate phase and its distinctive features shed new light on the theoretical understanding of the quantum Hall bilayer system at total filling ν T = 1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Light-Enhanced Spin Fluctuations and d -Wave Superconductivity at a Phase Boundary

Time-domain techniques have shown the potential of photomanipulating existing orders and inducing new states of matter in strongly correlated materials. Using time-resolved exact diagonalization, we perform in this paper numerical studies of pump dynamics in a Mott-Peierls system with competing charge and spin density waves. A light-enhanced d-wave superconductivity is observed when the system resides near a quantum phase boundary. By examining the evolution of spin, charge, and superconducting susceptibilities, we show that a subdominant state in equilibrium can be stabilized by photomanipulating the charge order to allow superconductivity to appear and dominate. Finally, this work provides an interpretation of light-induced superconductivity from the perspective of order competition and offers a promising approach for designing novel emergent states out of equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Electron-Phonon Systems on a Universal Quantum Computer

We present an algorithm that extends existing quantum algorithms for simulating fermion systems in quantum chemistry and condensed matter physics to include bosons in general and phonons in particular. We introduce a qubit representation for the low-energy subspace of phonons which allows an efficient simulation of the evolution operator of the electron-phonon systems. As a consequence of the Nyquist-Shannon sampling theorem, the phonons are represented with exponential accuracy on a discretized Hilbert space with a size that increases linearly with the cutoff of the maximum phonon number. The additional number of qubits required by the presence of phonons scales linearly with the size of the system. The additional circuit depth is constant for systems with finite-range electron-phonon and phonon-phonon interactions and linear for long-range electron-phonon interactions. Our algorithm for a Holstein polaron problem was implemented on an Atos quantum learning machine quantum simulator employing the quantum phase estimation method. The energy and the phonon number distribution of the polaron state agree with exact diagonalization results for weak, intermediate, and strong electron-phonon coupling regimes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Disorder-Driven Transition in the ν = 5 / 2 Fractional Quantum Hall Effect

The fractional quantum Hall (FQH) effect at the filling number ν = 5/2 is a primary candidate for non-Abelian topological order, while the fate of such a state in the presence of random disorder has not been resolved. We address this open question by implementing an unbiased diagnosis based on numerical exact diagonalization. Here, we calculate the disorder averaged Hall conductance and the associated statistical distribution of the topological invariant Chern number, which unambiguously characterize the disorder-driven collapse of the FQH state. As the disorder strength increases towards a critical value, a continuous phase transition is detected based on the disorder configuration averaged wave function fidelity and the entanglement entropy. In the strong disorder regime, we identify a composite Fermi liquid phase with fluctuating Chern numbers, in striking contrast to the well-known ν = 1/3 case where an Anderson insulator appears. Interestingly, the lowest Landau level projected a local density profile, the wave function overlap, and the entanglement entropy as a function of disorder strength simultaneously signal an intermediate phase, which may be relevant to the recent proposal of a particle-hole Pfaffian state or Pfaffian–anti-Pfaffian puddle state.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tunable Magnon Interactions in a Ferromagnetic Spin-1 Chain

NiNb 2 O 6 is an almost ideal realization of a 1D spin-1 ferromagnetic Heisenberg chain compound with weak unidirectional anisotropy. Using time-domain THz spectroscopy, we measure the low-energy electrodynamic response of NiNb 2 O 6 as a function of temperature and external magnetic field. At low temperatures, we find a magnonlike spin excitation, which corresponds to the lowest energy excitation at q ~ 0. At higher temperatures, we unexpectedly observe a temperature-dependent renormalization of the spin-excitation energy, which has a strong dependence on field direction. Using theoretical arguments, exact diagonalizations, and finite temperature dynamical Lanczos calculations, we construct a picture of magnon-magnon interactions that naturally explains the observed renormalization. In this work, we show how magnetic field strength and direction may be used to directly tune the sign of the magnon-magnon interaction. This unique scenario is a consequence of the spin-1 nature and has no analog in the more widely studied spin-1/2 systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

From One- to Two-Magnon Excitations in the S = 3 / 2 Magnet β - CaCr 2 O 4

Here, we apply neutron spectroscopy to measure the magnetic dynamics in the S = 3 / 2 magnet β-CaCr 2 O 4 ( T N = 21 K ). The low-energy fluctuations, in the ordered state, resemble large- S linear spin waves from the incommensurate ground state. However, at higher energy transfers, these semiclassical and harmonic dynamics are replaced by an energy and momentum broadened continuum of excitations. Applying kinematic constraints required for energy and momentum conservation, sum rules of neutron scattering, and comparison against exact diagonalization calculations, we show that the dynamics at high-energy transfers resemble low- S one-dimensional quantum fluctuations. β-CaCr 2 O 4 represents an example of a magnet at the border between classical Néel and quantum phases, displaying dual characteristics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗