Search NASA⌕ Search

SEARCH · Search NASA

Results for “spin entropy”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

ASb 3 Mn 9 O 19 (A = K or Rb): New Mn-Based 2D Magnetoplumbites with Geometric and Magnetic Frustration

Magnetoplumbites are one of the most broadly studied families of hexagonal ferrites, typically with high magnetic ordering temperatures, making them excellent candidates for permanent magnets. However, magnetic frustration is rarely observed in magnetoplumbites. Herein, the discovery, synthesis, and characterization of the first Mn-based magnetoplumbite, as well as the first magnetoplumbite involving pnictogens (Sb), ASb 3 Mn 9 O 19 (A = K or Rb) are reported. The Mn 3+ ( S = 2) cations, further confirmed by DC magnetic susceptibility and X-ray photoelectron spectroscopy, construct three geometrically frustrated sublattices, including Kagome, triangular, and puckered honeycomb lattices. Magnetic properties measurements revealed strong antiferromagnetic spin–spin coupling as well as multiple low-temperature magnetic features. Heat capacity data does not show any prominent λ-anomaly, suggesting minimal associated magnetic entropy. Moreover, neutron powder diffraction (NPD) implied the absence of long-range magnetic ordering in KSb 3 Mn 9 O 19 down to 3 K. However, several magnetic peaks are observed in RbSb 3 Mn 9 O 19 at 3 K, corresponding to an incommensurate magnetic structure. Interestingly, strong diffuse scattering is seen in the NPD patterns of both compounds at low angles and is analyzed by reverse Monte Carlo refinements, indicating short-range spin ordering related to frustrated magnetism as well as 2D magnetic correlations in ASb 3 Mn 9 O 19 (A = K or Rb).

2-D magnetic correlation↗
DOE OSTI2020

The concept of spin ice graphs and a field theory for their charges

Originally detected in rare earth pyrochlores, spin ice physics is now being artificially extended to a variety of geometries that control collective behavior and exotic properties, making graph theory their proper framework. We relate spin ice notions, such as ice rule, ice manifold, Coulomb phases, charges, and monopoles, to graph-theoretical notions, such as balance, in/out-degrees, and Euler paths. We then propose a field-theoretical treatment in which topological charges and monopoles are the degrees of freedom, while the binary spins are subsumed in an entropic interaction among charges. We show that for a spin ice on a graph in a Gaussian approximation, the kernel of the entropic interaction is the inverse of the graph Laplacian, and we compute screening functions from the graph spectra as Green operators for the screened Poisson problem on a graph. We then apply the treatment to star graphs, tournaments, cycles, and regular spin ice in different dimensions. Our aim is twofold: to set spin ice physics in a proper graph setting, where only topological rather than geometrical notions hold, and to invite graph theorists to contribute their powerful tools to the field of spin ice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Slow thermalization and subdiffusion in $U$(1) conserving Floquet random circuits

Random quantum circuits are paradigmatic models of minimally structured and analytically tractable chaotic dynamics. We study a family of Floquet unitary circuits with Haar random U(1) charge conserving dynamics; the minimal such model has nearest-neighbor gates acting on spin-1/2 qubits, and a single layer of even/odd gates repeated periodically in time. We find that this minimal model is not robustly thermalizing at numerically accessible system sizes, and displays slow subdiffusive dynamics for long times. We map out the thermalization dynamics in a broader parameter space of charge conserving circuits, and understand the origin of the slow dynamics in terms of proximate localized and integrable regimes in parameter space. In contrast, we find that small extensions to the minimal model are sufficient to achieve robust thermalization; these include (i) increasing the interaction range to three-site gates, (ii) increasing the local Hilbert space dimension by appending an additional unconstrained qubit to the conserved charge on each site, or (iii) using a larger Floquet period comprised of two independent layers of gates. Furthermore, our results should inform future studies of charge conserving circuits, which are relevant for a wide range of topical theoretical questions.

1-dimensional spin chains↗
DOE OSTI2021

Adaptive variational quantum eigensolvers for highly excited states

Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore the potential of variational quantum algorithms to approximate such states. We propose an adaptive variational quantum eigensolver (VQE) for excited states (X) that self-generates a variational ansatz for arbitrary eigenstates of a many-body Hamiltonian H by attempting to minimize the energy variance with respect to H. We benchmark the method by applying it to an Ising spin chain with integrable and nonintegrable regimes, where we calculate various quantities of interest, including the total energy, magnetization density, and entanglement entropy. We also compare the performance of adaptive VQE-X to an adaptive variant of the folded-spectrum method. For both methods, we find a strong dependence of the algorithm's performance on the choice of operator pool used for the adaptive construction of the ansatz. In particular, an operator pool including long-range two-body gates accelerates the convergence of both algorithms in the nonintegrable regime. Here, we also study the scaling of the number of variational parameters with system size, finding that an exponentially large number of parameters may be necessary to approximate individual highly excited states. Nevertheless, we argue that these methods lay a foundation for the use of quantum algorithms to study finite-energy-density properties of many-body systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Eminuscent phase in frustrated magnets: a challenge to quantum spin liquids

A geometrically frustrated (GF) magnet consists of localised magnetic moments, spins, whose orientation cannot be arranged to simultaneously minimise their interaction energies. Such materials may host novel fascinating phases of matter, such as fluid-like states called quantum spin-liquids. GF magnets have, like all solid-state systems, randomly located impurities whose magnetic moments may “freeze” at low temperatures, making the system enter a spin-glass state. We analyse the available data for spin-glass transitions in GF materials and find a surprising trend: the glass-transition temperature grows with decreasing impurity concentration and reaches a finite value in the impurity-free limit at a previously unidentified, “hidden”, energy scale. We propose a scenario in which the interplay of interactions and entropy leads to a crossover in the permeability of the medium that assists glass freezing at low temperatures. This low-temperature, “eminuscent”, phase may obscure or even destroy the widely-sought spin-liquid states in rather clean systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Giant and Reversible Barocaloric Effect in Trinuclear Spin–Crossover Complex Fe 3 (bntrz) 6 (tcnset) 6

A giant barocaloric effect (BCE) in a molecular material Fe 3 (bntrz) 6 (tcnset) 6 (FBT) is reported, where bntrz = 4-(benzyl)-1,2,4-triazole and tcnset = 1,1,3,3-tetracyano-2-thioethylepropenide. The crystal structure of FBT contains a trinuclear transition metal complex that undergoes an abrupt spin-state switching between the state in which all three FeII centers are in the high-spin (S = 2) electronic configuration and the state in which all of them are in the low-spin (S = 0) configuration. Despite the strongly cooperative nature of the spin transition, it proceeds with a negligible hysteresis and a large volumetric change, suggesting that FBT should be a good candidate for producing a large BCE. Powder X-ray diffraction and calorimetry reveal that the material is highly susceptible to applied pressure, as the transition temperature spans the range from 318 at ambient pressure to 383 K at 2.6 kbar. Despite the large shift in the spin-transition temperature, its nonhysteretic character is maintained under applied pressure. Such behavior leads to a remarkably large and reversible BCE, characterized by an isothermal entropy change of 120 J kg –1 K –1 and an adiabatic temperature change of 35 K, which are among the highest reversible values reported for any caloric material thus far.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Magnetic field-temperature phase diagram of the spin-$\frac{1}{2}$ triangular lattice antiferromagnet KYbSe 2

A quantum spin liquid (QSL) is a state of matter characterized by fractionalized quasiparticle excitations, quantum entanglement, and a lack of long-range magnetic order. However, QSLs have evaded definitive experimental observation. Several Yb 3+ -based triangular lattice antiferromagnets with effective 𝑆 = $\frac{1}{2}$ have been suggested to stabilize the QSL state as the ground state. Here, in this work, we build a comprehensive magnetic temperature phase diagram of a high-quality single crystalline KYbSe 2 via heat capacity and magnetocaloric effect down to 30 mK with magnetic field applied along the 𝑎 axis. At zero magnetic field, we observe the magnetic long-range order at 𝑇 N =0.29 K entering 120 degrees ordered state in heat capacity, consistent with neutron scattering studies. Analysis of the low-temperature (𝑇) specific heat (𝐶) at zero magnetic field indicates linear 𝑇 dependence of 𝐶/𝑇 and a broad hump of 𝐶/𝑇 in the proximate QSL region above 𝑇 N . By applying magnetic field, we observe the up-up-down phase with 1/3 magnetization plateau and oblique phases, in addition to two new phases. These observations strongly indicate that while KYbSe 2 closely exhibits characteristics resembling an ideal triangular lattice, deviations may exist, such as the effect of the next-nearest-neighbor exchange interaction, calling for careful consideration for spin Hamiltonian modeling. Further investigations into tuning parameters, such as chemical pressure, could potentially induce an intriguing QSL phase in the material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Switching of Magnetic Order via Non‐Magnetic Al Addition in FeCoNiMnAl x Films

Magnetic high entropy alloys (HEAs) consisting of 3 d transition metals offer an exciting platform to explore novel magnetic phases as they often house competing exchange interactions in combination with random site disorders. In this work, a sensitive and tunable magnetic order is demonstrated in sputtered single-layer FeCoNiMnAl x films, as a function of non-magnetic Al addition, along with an unexpected exchange bias effect. Thin films of 50 nm FeCoNiMn exhibit a face-centered-cubic ( fcc ) phase, reentrant spin glass (SG) transition near 100 K, and a large exchange bias of over 500 Oe after field-cooling to 5 K. The exchange bias is increased to 930 Oe through a small addition of 5 at.% Al. Further Al addition to 12 at.% results in a body-centered-cubic ( bcc ) phase, coinciding with a large increase in the saturation magnetization, decrease of exchange bias to 50 Oe, and suppression of SG behavior. The change in magnetic order across the Al-induced structural transformation is mediated by the switching of Mn ground state from AF to FM, which is supported by first-principles calculations and experimentally confirmed via X-ray magnetic circular dichroism. These results open up new HEA strategies for explorations of novel magnetic phases.

competing exchange interactions↗
DOE OSTI2021

Fidelity and entanglement entropy for infinite-order phase transitions

Here, we study the fidelity and the entanglement entropy for the ground states of quantum systems that have infinite-order quantum phase transitions. In particular, we consider the quantum O(2) model with a spin-S truncation, where there is an infinite-order Gaussian (IOG) transition for S = 1 and there are Berezinskii-Kosterlitz-Thouless (BKT) transitions for S ≥ 2. We show that the height of the peak in the fidelity susceptibility (χ F ) converges to a finite thermodynamic value as a power law of 1 / L for the IOG transition and as 1 / ln (L) for BKT transitions. The peak position of χ F resides inside the gapped phase for both the IOG transition and BKT transitions. On the other hand, the derivative of the block entanglement entropy with respect to the coupling constant $S^{'}_{vN}$ has a peak height that diverges as ln 2 (L) for S = 1 and ln 3 (L) for S ≥ 2 and can be used to locate both kinds of transitions accurately. We include higher-order corrections for finite-size scalings and obtain the value of the central charge consistent with c = 1 predicted by conformal field theory. The crossing point of χ F between different system sizes is at the IOG point for S = 1 but is inside the gapped phase for S ≥ 2, while those of $S^{'}_{vN}$ are at the phase-transition points for all S truncations. Our work elaborates on how to use the finite-size scaling of χ F or $S^{'}_{vN}$ to detect infinite-order quantum phase transitions and discusses the efficiency and accuracy of the two methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantum information approach to high energy interactions

High energy hadron interactions are commonly described by using a probabilistic parton model that ignores quantum entanglement present in the light-cone wave functions. Here, we argue that since a high energy interaction samples an instant snapshot of the hadron wave function, the phases of different Fock state wave functions cannot be measured—therefore the light-cone density matrix has to be traced over these unobservable phases. Performing this trace with the corresponding U(1) Haar integration measure leads to ‘Haar scrambling’ of the density matrix, and to the emergence of entanglement entropy. This entanglement entropy is determined by the Fock state probability distribution, and is thus directly related to the parton structure functions. As proposed earlier, at large rapidity η the hadron state becomes maximally entangled, and the entanglement entropy is S E ~η according to QCD evolution equations. When the phases of Fock state components are controlled, for example in spin asymmetry measurements, the Haar average cannot be performed, and the probabilistic parton description breaks down.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Characterization of the quantum state of top quark pairs produced in proton-proton collisions at $\sqrt{s}$ = 13 TeV using the beam and helicity bases

Measurements of the spin correlation coefficients in the beam basis are presented for top quark-antiquark $(t\bar{t}⁢)$ systems produced in proton-proton collisions at $\sqrt{s}$ = 13 TeV collected by the CMS experiment in 2016–2018, and corresponding to an integrated luminosity of 138 fb −1 . The $t\bar{t}$ system is reconstructed from final states containing an electron or muon and jets. Together with the previously reported results in the helicity basis, these measurements are used to decompose the system into the Bell and spin eigenstates in various kinematic regions. The spin correlation coefficients are also used to evaluate properties of the $t\bar{t}$ quantum state, such as the purity, von Neumann entropy, and entanglement. All results are consistent with standard model predictions.

Hayrapetyan, Aram [Yerevan Physics Institute]↗
DOE OSTI2021

Eigenstate Entanglement: Crossover from the Ground State to Volume Laws

For the typical quantum many-body systems that obey the eigenstate thermalization hypothesis (ETH), we argue that the entanglement entropy of (almost) all energy eigenstates is described by a single crossover function. The ETH implies that the crossover functions can be deduced from subsystem entropies of thermal ensembles and have universal properties. These functions capture the full crossover from the ground-state entanglement regime at low energies and small subsystem size (area or log-area law) to the extensive volume-law regime at high energies or large subsystem size. For critical one-dimensional systems, a universal scaling function follows from conformal field theory and can be adapted for nonlinear dispersions. We use it to also deduce the crossover scaling function for Fermi liquids in d > 1 dimensions. Here, the analytical results are complemented by numerics for large noninteracting systems of fermions in d ≤ 3 dimensions and have also been confirmed for bosonic systems and nonintegrable spin chains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Mana and thermalization: Probing the feasibility of near-Clifford Hamiltonian simulation

Quantum hydrodynamics is the emergent classical dynamics governing transport of conserved quantities in generic strongly interacting quantum systems. Here, recent matrix product operator methods [1,2] have made simulations of quantum hydrodynamics in 1+1D tractable, but they do not naturally generalize to 2+1D or higher, and they offer limited guidance as to the difficulty of simulations on quantum computers. Near-Clifford simulation algorithms are not limited to one dimension, and future error-corrected quantum computers will likely be bottlenecked by non-Clifford operations. We therefore investigate the non-Clifford resource requirements for simulation of quantum hydrodynamics using mana, a resource theory of non-Clifford operations. For infinite-temperature starting states, we find that the mana of subsystems quickly approaches zero, while for starting states with energy above some threshold the mana approaches a nonzero value. Surprisingly, in each case the finite-time mana is governed by the subsystem entropy, not the thermal state mana; we argue that this is because mana is a sensitive diagnostic of finite-time deviations from canonical typicality.

1-dimensional spin chains↗
DOE OSTI2021

Yang-Lee edge singularity triggered entanglement transition

Here we show that a class of $\mathscr{PT}$ symmetric non-Hermitian Hamiltonians realizing the Yang-Lee edge singularity exhibits an entanglement transition in the long-time steady state evolved under the Hamiltonian. Such a transition is induced by a level crossing triggered by the critical point associated with the Yang-Lee singularity and hence is first order in nature. At the transition, the entanglement entropy of the steady state jumps discontinuously from a volume-law to an area-law scaling. We exemplify this mechanism using a one-dimensional transverse field Ising model with additional imaginary fields, as well as the spin-1 Blume-Capel model and the three-state Potts model. We further make a connection to the forced-measurement induced entanglement transition in a Floquet nonunitary circuit subject to continuous measurements followed by post-selections. Our results demonstrate a new mechanism for entanglement transitions in non-Hermitian systems harboring a critical point.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Scaling functions for eigenstate entanglement crossovers in harmonic lattices

For quantum matter, eigenstate entanglement entropies obey an area law or log-area law at low energies and small subsystem sizes and cross over to volume laws for high energies and large subsystems. This transition is captured by crossover functions, which assume a universal scaling form in quantum critical regimes. We demonstrate this for the harmonic lattice model, which describes quantized lattice vibrations and is a regularization for free scalar field theories, modeling, e.g., spin-0 bosonic particles. In one dimension, the ground-state entanglement obeys a log-area law. For dimensions d ≥ 2, it displays area laws, even at criticality. The distribution of excited-state entanglement entropies is found to be sharply peaked around subsystem entropies of corresponding thermodynamic ensembles in accordance with the eigenstate thermalization hypothesis. Numerically, we determine crossover scaling functions for the quantum critical regime of the model and do a large-deviation analysis. We show how infrared singularities of the system can be handled and how to access the thermodynamic limit using a perturbative trick for the covariance matrix. Eigenstates for quasi-free bosonic systems are not Gaussian. Here, we resolve this problem by considering appropriate squeezed states instead. For these, entanglement entropies can be evaluated efficiently.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗