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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 541 records · Page 30
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DOE OSTI2020

η-pairing in Hubbard models: From spectrum generating algebras to quantum many-body scars

In this work, we revisit the η-pairing states in Hubbard models and explore their connections to quantum many-body scars to discover a universal scars mechanism. η-pairing occurs due to an algebraic structure known as a spectrum generating algebra (SGA), giving rise to equally spaced towers of eigenstates in the spectrum. We generalize the original η-pairing construction and show that several Hubbard-like models on arbitrary graphs exhibit SGAs, including ones with disorder and spin-orbit coupling. We further define a restricted spectrum generating algebra (RSGA) and give examples of perturbations to the Hubbard-like models that preserve an equally spaced tower of the original model as eigenstates. The states of the surviving tower exhibit a subthermal entanglement entropy, and we analytically obtain parameter regimes for which they lie in the bulk of the spectrum, showing that they are exact quantum many-body scars. The RSGA framework also explains the equally spaced towers of eigenstates in several well-known models of quantum scars, including the Affleck-Kennedy-Lieb-Tasaki model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Block–spiral magnetism: An exotic type of frustrated order

Significance Magnetic frustration in spin or electronic models emerges from the failure of the system to fulfill simultaneously conflicting local requirements. The latter typically arise from the lattice geometry or are induced by special spin–spin interactions in the system at various distances. Here we show that the competing energy scales of the seemingly nonfrustrated orbital-selective Mott phase of the low-dimensional multiorbital Hubbard model can originate a “block–chiral magnetism,” i.e., a state with rigidly rotating spin–magnetic islands. Furthermore, we show how such an exotic spin state influences the electronic properties of the system, revealing parity-breaking quasiparticles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Finite-temperature tensor network study of the Hubbard model on an infinite square lattice

Here, the Hubbard model is a longstanding problem in the theory of strongly correlated electrons and a very active one in the experiments with ultracold fermionic atoms. Motivated by current and prospective quantum simulations, we apply a two-dimensional tensor network—an infinite projected entangled pair state—evolved in imaginary time by the neighborhood tensor update algorithm working directly in the thermodynamic limit. With U⁡(1)×U⁡(1) symmetry and the bond dimensions up to 29, we generate thermal states down to the temperature of 0.17 times the hopping rate. We obtain results for spin and charge correlators, unaffected by boundary effects. The spin correlators—measurable in prospective ultracold atoms experiments attempting to approach the thermodynamic limit—provide evidence of disruption of the antiferromagnetic background with mobile holes in a slightly doped Hubbard model. The charge correlators reveal the presence of hole-doublon pairs near half filling and signatures of hole-hole repulsion on doping. We also obtain specific heat in the slightly doped regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Field-tailoring quantum materials via magneto-synthesis: metastable metallic and magnetically suppressed phases in a trimer iridate

We demonstrate that applying modest magnetic fields (< 0.1 T) during high-temperature crystal growth can profoundly alter the structure and ground state of a spin-orbit-coupled, antiferromagnetic trimer lattice. Using BaIrO₃ as a model system, whose ground state is intricately dictated by the trimer lattice, we show that magneto-synthesis , a field-assisted synthesis approach, stabilizes a structurally compressed, metastable metallic and magnetically suppressed phases inaccessible via conventional methods. These effects include a 0.85% reduction in unit cell, 4-order-of-magnitude decrease in resistivity, a 10-fold enhancement of the Sommerfeld coefficient, and the collapse of long-range magnetic order -- all intrinsic and bulk in origin. First-principles calculations confirm that the field-stabilized structure lies substantially above the ground state in energy, highlighting its metastable character. These large, coherent and correlated changes across multiple bulk properties, unlike those caused by dilute impurities, defects or off-stoichiometry, point to an intrinsic field-induced mechanism. The findings establish magneto-synthesis as a powerful new pathway for accessing non-equilibrium quantum phases in strongly correlated materials.

magneto-synthesis↗
DOE OSTI2022

Simulating Dynamical Phases of Chiral p + i p Superconductors with a Trapped ion Magnet

Two-dimensional p + ip superconductors and superfluids are systems that feature chiral behavior emerging from the Cooper pairing of electrons or neutral fermionic atoms with nonzero angular momentum. Their realization has been a longstanding goal because they offer great potential utility for quantum computation and memory. However, they have so far eluded experimental observation both in solid-state systems as well as in ultracold quantum gases. Here, we propose to leverage the tremendous control offered by rotating two-dimensional trapped-ion crystals in a Penning trap to simulate the dynamical phases of two-dimensional p + ip superfluids. This is accomplished by mapping the presence or absence of a Cooper pair into an effective spin-1/2 system encoded in the ions’ electronic levels. We show how to infer the topological properties of the dynamical phases, and discuss the role of beyond mean-field corrections. More broadly, our work opens the door to use trapped-ion systems to explore exotic models of topological superconductivity and also paves the way to generate and manipulate skyrmionic spin textures in these platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Robust d-Wave Superconductivity in the Square-Lattice t–J Model

Unravelling competing orders emergent in doped Mott insulators and their interplay with unconventional superconductivity is one of the major challenges in condensed matter physics. Here, to explore the possible superconducting state in a doped Mott insulator, we study the square-lattice t-J model with both the nearest-neighbor and next-nearest-neighbor electron hoppings and spin interactions. By using the state-of-the-art density matrix renormalization group calculation with imposing charge U(1) and spin SU(2) symmetries on the six-leg cylinders, we establish a quantum phase diagram including three phases: a stripe charge density wave phase, a superconducting phase without static charge order, and a superconducting phase coexistent with a weak charge stripe order. Crucially, we demonstrate that the superconducting phase has a power-law pairing correlation that decays much slower than the charge density and spin correlations, which is a quasi-1D descendant of the uniform d-wave superconductor in two dimensions. These findings reveal that enhanced charge and spin fluctuations with optimal doping is able to produce robust d-wave superconductivity in doped Mott insulators, providing a foundation for connecting theories of superconductivity to models of strongly correlated systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Magnetic field dependence of the spin fluctuations in CeCu 5.8 ⁢Ag 0.2

Quantum phase transitions are among the most intriguing phenomena that can occur when the electronic ground state of correlated metals are tuned by external parameters such as pressure, magnetic field, or chemical substitution. Such transitions between distinct states of matter are driven by quantum fluctuations, and can give rise to macroscopically coherent phases that are at the forefront of condensed matter research. However, the nature of the critical fluctuations, and thus the fundamental physics controlling many quantum phase transitions, remain poorly understood in numerous strongly correlated metals. Here we study the model material CeCu 5.8⁢ Ag 0.2 to gain insight into the implications of critical fluctuations originating from different regions in reciprocal space. By employing an external magnetic field along the crystallographic 𝑎 and 𝑐 axis as auxiliary tuning parameter, we observe a pronounced anisotropy in the suppression of the quantum critical fluctuations, reflecting the spin anisotropy of the long-range ordered ground state at larger silver concentration. Coupled with the temperature dependence of the quantum fluctuations, these results suggest that the quantum phase transition in CeCu 5.8⁢ Ag 0.2 is driven by three-dimensional spin-density wave fluctuations.

Boraley, Xavier [Paul Scherrer Inst. (PSI), Villig↗
DOE OSTI2020

Slow scrambling and hidden integrability in a random rotor model

In this work, we analyze the out-of-time-order correlation functions of a solvable model of a large number $\textit{N}$ of $\textit{M}$-component quantum rotors coupled by Gaussian-distributed random, infinite-range exchange interactions. We focus on the growth of commutators of operators at a temperature $\textit{T}$ above the zero temperature quantum critical point separating the spin-glass and paramagnetic phases. In the large $\textit{N, M}$ limit, the squared commutators of the rotor fields do not display any exponential growth of commutators, in spite of the absence of any sharp quasiparticlelike excitations in the disorder-averaged theory. We show that in this limit, the problem is integrable and points out interesting connections to random-matrix theory. At leading order in 1/$\textit{M}$, there are no modifications to the critical behavior but an irrelevant term in the fixed-point action leads to a small exponential growth of the squared commutator. We also introduce and comment on a generalized model involving $\textit{p}$-pair rotor interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Constant-depth circuits for dynamic simulations of materials on quantum computers

Abstract Dynamic simulation of materials is a promising application for near-term quantum computers. Current algorithms for Hamiltonian simulation, however, produce circuits that grow in depth with increasing simulation time, limiting feasible simulations to short-time dynamics. Here, we present a method for generating circuits that are constant in depth with increasing simulation time for a specific subset of one-dimensional (1D) materials Hamiltonians, thereby enabling simulations out to arbitrarily long times. Furthermore, by removing the effective limit on the number of feasibly simulatable time-steps, the constant-depth circuits enable Trotter error to be made negligibly small by allowing simulations to be broken into arbitrarily many time-steps. For an N -spin system, the constant-depth circuit contains only $\mathcal {O}(N^{2})$ O ( N 2 ) CNOT gates. Such compact circuits enable us to successfully execute long-time dynamic simulation of ubiquitous models, such as the transverse field Ising and XY models, on current quantum hardware for systems of up to 5 qubits without the need for complex error mitigation techniques. Aside from enabling long-time dynamic simulations with minimal Trotter error for a specific subset of 1D Hamiltonians, our constant-depth circuits can advance materials simulations on quantum computers more broadly in a number of indirect ways.

Materials simulation↗
DOE OSTI2023

Bayesian experimental design and parameter estimation for ultrafast spin dynamics

Abstract Advanced experimental measurements are crucial for driving theoretical developments and unveiling novel phenomena in condensed matter and materials physics, which often suffer from the scarcity of large-scale facility resources, such as x-ray or neutron scattering centers. To address these limitations, we introduce a methodology that leverages the Bayesian optimal experimental design paradigm to efficiently uncover key quantum spin fluctuation parameters from x-ray photon fluctuation spectroscopy (XPFS) data. Our method is compatible with existing theoretical simulation pipelines and can also be used in combination with fast machine learning surrogate models in the event that real-time simulations are unfeasible. Our numerical benchmarks demonstrate the superior performance in predicting model parameters and in delivering more informative measurements within limited experimental time. Our method can be adapted to many different types of experiments beyond XPFS and spin fluctuation studies, facilitating more efficient data collection and accelerating scientific discoveries.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Spin-flop-like transition as quantum critical point in Cs2⁢RuO4

We report thermodynamic, neutron diffraction, and inelastic neutron scattering measurements on Cs2⁢RuO4, a member of the celebrated family of frustrated magnets Cs2⁢𝑀⁢𝑋4 (𝑀 = Cu, Co, 𝑋 = Br, Cl). Unlike the previously studied members, it is based on 4⁢𝑑 transition metal ions with 𝑆=1. Mapping out the 𝐻−𝑇 magnetic phase diagram reveals an unusual continuous spin-flop-like phase transition associated with a quantum critical point within the antiferromagnetically ordered phase. A quantitative analysis of the complex magnetic excitation spectrum measured in zero field allows us to derive a model magnetic Hamiltonian for this compound. Its main feature is a frustration of magnetic anisotropy on a level that is much higher than in any of the previously studied species. This frustration naturally explains the peculiar phase transition observed.

Nabi, S [Laboratory for Solid State Physics, ETH Z↗
DOE OSTI2024

4-Clique network minor embedding for quantum annealers

Quantum annealing is a quantum algorithm for computing solutions to combinatorial optimization problems. This study proposes a method for minor embedding optimization problems onto sparse quantum annealing hardware graphs called 4-clique network minor embedding. This method is in contrast to the standard minor embedding technique of using a path of linearly connected qubits in order to represent a logical variable state. The 4-clique minor embedding is possible on Pegasus graph connectivity, which is the native hardware graph for some of the current D-Wave quantum annealers. The Pegasus hardware graph contains many cliques of size 4, making it possible to form a graph composed entirely of paths of connected 4-cliques on which a problem can be minor-embedded. The 4-clique chains come at the cost of additional qubit usage on the hardware graph, but they allow for stronger coupling within each chain, thereby increasing chain integrity, reducing chain breaks, and allow for greater usage of the available energy scale for programming logical problem coefficients on current quantum annealers. The 4-clique minor embedding technique is compared with the standard linear path minor embedding with experiments on two D-Wave quantum annealing processors with Pegasus hardware graphs. We show proof-of-concept experiments where the 4-clique minor embeddings can use weak chain strengths while successfully carrying out the computation of minimizing random all-to-all spin glass problem instances. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Experimental realization of classical Z 2 spin liquids in a programmable quantum device

We build and probe a Z 2 spin liquid in a programmable quantum device, the D-Wave DW-2000Q. Specifically, we observe the classical eight-vertex and six-vertex (spin ice) states and transitions between them. To realize this state of matter, we design a Hamiltonian with combinatorial gauge symmetry using only pairwise-qubit interactions and a transverse field, i.e., interactions which are accessible in this quantum device. The combinatorial gauge symmetry remains exact along the full quantum annealing path, landing the system onto the classical eight-vertex model at the endpoint of the path. The output configurations from the device allow us to directly observe the loop structure of the classical model. Moreover, we deform the Hamiltonian so as to vary the weights of the eight vertices and show that we can selectively attain the classical six-vertex (ice) model, or drive the system into a ferromagnetic state. Additionally, we present studies of the classical phase diagram of the system as a function of the eight-vertex deformations and effective temperature, which we control by varying the relative strengths of the programmable couplings, and we show that the experimental results are consistent with theoretical analysis. Finally, we identify additional capabilities that, if added to these devices, would allow us to realize Z 2 quantum spin liquids on which to build topological qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Dynamic, symmetry-preserving, and hardware-adaptable circuits for quantum computing many-body states and correlators of the Anderson impurity model

We present a hardware-reconfigurable ansatz on N q -qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with N imp + N bath = N q /2 sites, which conserves total charge and spin z component within each variational search subspace. The many-body ground state of the AIM is determined as the minimum over all minima of O(N$^2_ q$) distinct charge-spin sectors. Hamiltonian expectation values are shown to require ω(N q ) < N meas. $\leqslant$ O(N imp N bath ) symmetry-preserving, parallelizable measurement circuits, each amenable to postselection. To obtain the one-particle impurity Green’s function we show how initial Krylov vectors can be computed via midcircuit measurement and how Lanczos iterations can be computed using the symmetry-preserving ansatz. For a single-impurity Anderson model with a number of bath sites increasing from one to seven, we show using numerical emulation that the ease of variational ground-state preparation is suggestive of linear scaling in circuit depth and subquartic scaling in optimizer complexity. We therefore expect that, combined with time-dependent methods for Green’s function computation, our ansatz provides a useful tool to account for electronic correlations on early fault-tolerant processors. Finally, with a view towards computing real materials properties of interest like magnetic susceptibilities and electron-hole propagators, we provide a straightforward method to compute many-body, time-dependent correlation functions using a combination of time evolution, midcircuit measurement-conditioned operations, and the Hadamard test.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electromagnetic signatures of a chiral quantum spin liquid

Quantum spin liquids (QSL) have emerged as a captivating subject within interacting spin systems that exhibit no magnetic ordering even at the lowest temperature accessible experimentally. However, definitive experimental evidence remains elusive. In light of the recent surge in theoretical and experimental interest in the half-filled Hubbard model on a triangular lattice, which offers the potential for stabilizing a chiral QSL, we investigate the electromagnetic signatures of this phase to facilitate experimental detection. Utilizing a combination of parton mean-field theory and unbiased density-matrix renormalization group calculations, we systematically examine the electrical charge and orbital electrical current associated with a spinon excitation in the chiral QSL. Additionally, we calculate the longitudinal and transverse optical conductivities below the Mott gap. Furthermore, employing quantum field theory analysis, we unravel the connection between spinon excitations and emergent as well as physical gauge fields. Our results demonstrate that the chiral QSL phase exhibits a distinct electromagnetic response, even within a Mott insulator regime. This finding holds great potential for enabling the experimental detection of this long-sought-after phase.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Coherent spin states and emergent de Sitter quasinormal modes

As a toy model for the microscopic description of matter in de Sitter space, we consider a Hamiltonian acting on the spin-j representation of SU(2). This is a model with a finite-dimensional Hilbert space, from which quasinormal modes emerge in the large-spin limit. The path integral over coherent spin states can be evaluated at the semiclassical level and from it we find the single-particle de Sitter density of states, including 1/j corrections. Along the way, we discuss the use of quasinormal modes in quantum mechanics, starting from the paradigmatic upside-down harmonic oscillator.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Strong influence of nonmagnetic ligands on the momentum-dependent spin splitting in antiferromagnets

Here, recent studies show the nonrelativistic antiferromagnetic ordering could generate momentum-dependent spin splitting analogous to the Rashba effect but free from the requirement of relativistic spin-orbit coupling. Whereas the classification of such compounds can be illustrated by different spin-splitting prototypes (SSTs) from symmetry analysis and density-functional-theory calculations, the huge variation in chemical bonding and structures of these diverse compounds possibly clouds the issue of how much of the variation in spin splitting can be traced back to the symmetry-defined characteristics, rather to the underlining chemical and structural diversity. The alternative model Hamiltonian approaches do not confront the issues of chemical and structural complexity but often consider only the magnetic sublattice, dealing with the all-important effects of the nonmagnetic ligands via renormalizing the interactions between the magnetic sites. To this end, we constructed a DFT model Hamiltonian that allows us to study SSTs at constant chemistry while retaining the realistic atomic-scale structure including ligands. This is accomplished by using a single, universal magnetic skeletal lattice (Ni 2+ ions in rocksalt NiO) and designing small displacements of the nonmagnetic (oxygen) sublattice which produce, by design, the different SST magnetic symmetries. We show that (i) even similar crystal structures having very similar band structures can lead to contrasting behavior of spin splitting vs momentum, and (ii) even subtle deformations of the nonmagnetic ligand sublattice could cause a giant spin splitting in AFM-induced SST. This is a paradigm shift relative to the convention of modeling magnets without considering the nonmagnetic ligand that mediates indirect magnetic interaction (e.g., superexchange).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Floquet Gauge Pumps as Sensors for Spectral Degeneracies Protected by Symmetry or Topology

We introduce the concept of a Floquet gauge pump whereby a dynamically engineered Floquet Hamiltonian is employed to reveal the inherent degeneracy of the ground state in interacting systems. We demonstrate this concept in a one-dimensional XY model with periodically driven couplings and transverse field. In the high-frequency limit, we obtain the Floquet Hamiltonian consisting of the static XY and dynamically generated Dzyaloshinsky-Moriya interaction (DMI) terms. The dynamically generated magnetization current depends on the phases of complex coupling terms, with the XY interaction as the real and DMI as the imaginary part. As these phases are cycled, the current reveals the ground-state degeneracies that distinguish the ordered and disordered phases. In conclusion, we discuss experimental requirements needed to realize the Floquet gauge pump in a synthetic quantum spin system of interacting trapped ions.

74 ATOMIC AND MOLECULAR PHYSICS↗