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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Static and dynamical magnetic properties of the extended Kitaev-Heisenberg model with spin vacancies

Motivated by the potential to suppress antiferromagnetic long-range order in favor of the long-sought-after Kitaev quantum spin liquid state, we study the effect of spin vacancies in the extended Kitaev-Heisenberg model. In particular, we focus on a realistic model obtained from fitting inelastic neutron scattering on α–RuCl 3 . We observe that the long-range zigzag magnetic ordered state only survives when the doping concentration is smaller than 5%. Upon further increasing the spin vacancy concentration, the ground state becomes a short-range ordered state at low temperatures. Compared with experiments, our classical solution overstabilizes the zigzag correlation in the presence of spin vacancies. Here, our theoretical results provide guidance toward interpreting inelastic neutron scattering experiments on magnetically diluted Kitaev candidate materials

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Probing the Kitaev honeycomb model on a neutral-atom quantum computer

Quantum simulations of many-body systems are among the most promising applications of quantum computers. In particular, models based on strongly correlated fermions are central to our understanding of quantum chemistry and materials problems, and can lead to exotic, topological phases of matter. However, owing to the non-local nature of fermions, such models are challenging to simulate with qubit devices. Here we realize a digital quantum simulation architecture for two-dimensional fermionic systems based on reconfigurable atom arrays. We utilize a fermion-to-qubit mapping based on Kitaev’s model on a honeycomb lattice, in which fermionic statistics are encoded using long-range entangled states. We prepare these states efficiently using measurement and feedforward, realize subsequent fermionic evolution through Floquet engineering with tunable entangling gates interspersed with atom rearrangement, and improve results with built-in error detection. Leveraging this fermion description of the Kitaev spin model, we efficiently prepare topological states across its complex phase diagram and verify the non-Abelian spin-liquid phase by evaluating an odd Chern number. We further explore this two-dimensional fermion system by realizing tunable dynamics and directly probing fermion exchange statistics. Finally, we simulate strong interactions and study the dynamics of the Fermi–Hubbard model on a square lattice. These results pave the way for digital quantum simulations of complex fermionic systems for materials science, chemistry and high-energy physics.

atomic and molecular physics↗
DOE OSTI2024

Complex orders and chirality in the classical Kitaev-Γ model

It is well recognized that the low-energy physics of many Kitaev materials is governed by two dominant energy scales, the Ising-type Kitaev coupling 𝐾 and the symmetric off-diagonal Γ coupling. An understanding of the interplay between these two scales is therefore the natural starting point toward a quantitative description that includes subdominant perturbations that are inevitably present in real materials. This study focuses on the classical 𝐾−Γ model on the honeycomb lattice, with a specific emphasis on the region 𝐾< 0 and Γ > 0 , which is the most relevant for the available materials and which remains enigmatic in both quantum and classical limits, despite much effort. We employ large-scale Monte Carlo simulations on specially designed finite-size clusters and unravel the presence of a complex multisublattice magnetic order in a wide region of the phase diagram, whose structure is characterized in detail. We show that this order can be quantified in terms of a coarse-grained scalar-chirality order, featuring a counterrotating modulation on the two spin sublattices. Here, we also provide a comparison to previous studies and discuss the impact of quantum fluctuations on the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Order fractionalization in a Kitaev-Kondo model

We describe a mechanism for order fractionalization in a two-dimensional Kondo lattice model, in which electrons interact with a gapless spin liquid of Majorana fermions described by the Yao-Lee (YL) model. When the Kondo coupling to the conduction electrons exceeds a critical value, the model develops a superconducting instability into a state with a a spinor order parameter with charge 4 and spin ( = 1 2. The broken symmetry state develops a gapless Majorana Dirac cone in the bulk. By including an appropriate gauge string, we can show that the charge 4, spinorial order develops off-diagonal long range order that allows electrons to coherently tunnel arbitrarily long distances through the spin liquid.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electronic transport mechanisms in a thin crystal of the Kitaev candidate α -RuCl 3 probed through guarded high impedance measurements

α-RuCl 3 is considered to be the top candidate material for the experimental realization of the celebrated Kitaev model, where ground states are quantum spin liquids with interesting fractionalized excitations. It is, however, known that additional interactions beyond the Kitaev model trigger in α-RuCl 3 a long-range zigzag antiferromagnetic ground state. In this work, we investigate a nanoflake of α-RuCl 3 through guarded high impedance measurements aimed at reaching the regime where the system turns into a zigzag antiferromagnet. We investigated a variety of temperatures (1.45–175 K) and out-of-plane magnetic fields (up to 11 T), finding a clear signature of a structural phase transition at ≈160 K as reported for thin crystals of α-RuCl 3 , as well as a thermally activated behavior at temperatures above ≈30 K, with a characteristic activation energy significantly smaller than the energy gap that we observe for α-RuCl 3 bulk crystals through our angle resolved photoemission spectroscopy (ARPES) experiments. Additionally, we found that below ≈30 K, transport is ruled by Efros–Shklovskii variable range hopping (VRH). Most importantly, our data show that below the magnetic ordering transition known for bulk α-RuCl 3 in the frame of the Kitaev–Heisenberg model (≈7 K), there is a clear deviation from VRH or thermal activation transport mechanisms. Finally, our work demonstrates the possibility of reaching, through specialized high impedance measurements, the thrilling ground states predicted for α-RuCl 3 at low temperatures in the frame of the Kitaev–Heisenberg model and informs about the transport mechanisms in this material in a wide temperature range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Measurement-induced phase transition in teleportation and wormholes

We demonstrate that some quantum teleportation protocols exhibit measurement induced phase transitions in Sachdev-Ye-Kitaev model. Namely, Kitaev-Yoshida and Gao-Jafferis-Wall protocols have a phase transition if we apply them at a large projection rate or at a large coupling rate respectively. It is well-known that at small rates they allow teleportation to happen only within a small time-window. We show that at large rates, the system goes into a new steady state, where the teleportation can be performed at any moment. In dual Jackiw-Teitelboim gravity these phase transitions correspond to the formation of an eternal traversable wormhole. In the Kitaev-Yoshida case this novel type of wormhole is supported by continuous projections.

Physics↗
DOE OSTI2020

Many-body quantum dynamics slows down at low density

We study quantum many-body systems with a global U(1) conservation law, focusing on a theory of N interacting fermions with charge conservation, or N interacting spins with one conserved component of total spin. We define an effective operator size at finite chemical potential through suitably regularized out-of-time-ordered correlation functions. The growth rate of this density-dependent operator size vanishes algebraically with charge density; hence we obtain new bounds on Lyapunov exponents and butterfly velocities in charged systems at a given density, which are parametrically stronger than any Lieb-Robinson bound. We argue that the density dependence of our bound on the Lyapunov exponent is saturated in the charged Sachdev-Ye-Kitaev model. We also study random automaton quantum circuits and Brownian Sachdev-Ye-Kitaev models, each of which exhibit a different density dependence for the Lyapunov exponent, and explain the discrepancy. We propose that our results are a cartoon for understanding Planckian-limited energy-conserving dynamics at finite temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Resolution of zigzag magnetic correlations in Na-deficient Na x IrO 3 without long-range ordering

The materials search for Kitaev quantum spin liquids led to the discovery of many honeycomb lattice materials. Much attention has been paid to materials without magnetic order down to the lowest temperatures. The newly synthesized Na-deficient Na x IrO 3 has been found to bear no sign of long-range magnetic order above 1 K from physical property measurements. In this paper, we report momentum-and energy-resolved excitation spectra in Na-deficient Na x IrO 3 measured using a resonant inelastic x-ray scattering spectrometer. Orbital excitation spectra show that the octahedral and trigonal crystal field splittings are larger in Na x IrO 3 than in Na 2 IrO 3 . On the other hand, the low-energy spectrum at low temperature shows a wave-vector dispersion and a spectral weight distribution that are similar to those of Na 2 IrO 3 , revealing that the two-dimensional zigzag magnetic correlations in Na x IrO 3 are similar to those in Na 2 IrO 3 in terms of the ordered magnetic moment direction and three dynamically fluctuating zigzag orders. The azimuth angle dependence of the low-energy spectrum corroborates these results. The two-dimensional zigzag magnetic correlations rapidly weaken until 50 K. At high temperatures, the spectral weight distribution of the low-energy excitation resembles that of the pure Kitaev model, indicating that the Kitaev interaction dominates the dynamic magnetic response at high temperature. Here we suggest that the larger crystal field and distortion and the weakened longer-range Heisenberg exchange interactions due to the Na deficiency in Na x IrO 3 contribute to bring Na x IrO 3 away from the zigzag long-range magnetic order phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Subsystem Rényi entropy of thermal ensembles for SYK-like models

The Sachdev-Ye-Kitaev model is an N N -modes fermionic model with infinite range random interactions. In this work, we study the thermal Rényi entropy for a subsystem of the SYK model using the path-integral formalism in the large- N N limit. The results are consistent with exact diagonalization and can be well approximated by thermal entropy with an effective temperature when subsystem size M\leq N/2 M ≤ N / 2 . We also consider generalizations of the SYK model with quadratic random hopping term or U(1) U ( 1 ) charge conservation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Competing antiferromagnetic-ferromagnetic states in a d 7 Kitaev honeycomb magnet

The Kitaev model is a rare example of an analytically solvable and physically instantiable Hamiltonian yielding a topological quantum spin liquid ground state. Here we report signatures of Kitaev spin liquid physics in the honeycomb magnet Li 3 Co 2 SbO 6 , built of high-spin d 7 (Co 2+ ) ions, in contrast to the more typical low-spin d 5 electron configurations in the presence of large spin-orbit coupling. Neutron powder diffraction measurements, heat capacity, and magnetization studies support the development of a long-range antiferromagnetic order space group of C C 2/m, below T N = 11K at μ 0 H = 0T. The magnetic entropy recovered between T = 2 and 50 K is estimated to be 0.6Rln2, in good agreement with the value expected for systems close to a Kitaev quantum spin liquid state. The temperature-dependent magnetic order parameter demonstrates a β value of 0.19(3), consistent with XY anisotropy and in-plane ordering, with Ising-like interactions between layers. Further, we observe a spin-flop-driven crossover to ferromagnetic order with space group of C2/m under an applied magnetic field of μ 0 H ≈ 0.7T at T = 2K. Magnetic structure analysis demonstrates these magnetic states are competing at finite applied magnetic fields even below the spin-flop transition. Both the d 7 compass model, a quantitative comparison of the specific heat of Li 3 Co 2 SbO 6 , and related honeycomb cobaltates to the anisotropic Kitaev model further support proximity to a Kitaev spin liquid state. Furthermore, this material demonstrates the rich playground of high-spin d 7 systems for spin liquid candidates and complements known d 5 Ir- and Ru-based materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Phonon dynamics in the chiral Kitaev spin liquid

Here, we investigate the effect of a magnetic field on the extended Kitaev spin-liquid state through phonon dynamics. Using a constrained fermionic self-consistent mean field method, we analyze the quantum spin liquid (QSL) ground state for the extended Kitaev model with both the Zeeman term and the perturbative three-spin interaction term 𝜅. Our results demonstrate the dependence of the stability of the Kitaev QSL state on the field direction, consistent with findings in the literature. Additionally, we calculate the phonon dynamics for acoustic phonons coupled to the Majorana fermion excitations of the Kitaev spin-liquid state, discussing the temperature and field evolution of these quantities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Giant Anisotropic Magnetoresistance in Few-Layer α-RuCl 3 Tunnel Junctions

The spin–orbit-assisted Mott insulator α-RuCl 3 is proximate to the coveted quantum spin liquid (QSL) predicted by the Kitaev model. In the search for the pure Kitaev QSL, reducing the dimensionality of this frustrated magnet by exfoliation has been proposed as a way to enhance magnetic fluctuations and Kitaev interactions. Here, in this work, we perform angle-dependent tunneling magnetoresistance (TMR) measurements on ultrathin α-RuCl 3 crystals with various layer numbers to probe their magnetic, electronic, and crystal structures. We observe a giant change in resistance, as large as ~2500%, when the magnetic field rotates either within or out of the α-RuCl 3 plane, a manifestation of the strongly anisotropic spin interactions in this material. In combination with scanning transmission electron microscopy, this tunneling anisotropic magnetoresistance (TAMR) reveals that few-layer α-RuCl 3 crystals remain in the high-temperature monoclinic phase at low temperatures. It also shows the presence of a zigzag antiferromagnetic order below the critical temperature T N ≃ 14 K, which is twice the one typically observed in bulk samples with rhombohedral stacking. Our work offers valuable insights into the relation between the stacking order and magnetic properties of this material, which helps lay the groundwork for creating and electrically probing exotic magnetic phases such as QSLs via van der Waals engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Unraveling the magnetic ground state in the alkali-metal lanthanide oxide Na 2 ⁢Pr⁡O 3

Here, a comprehensive set of muon spin spectroscopy and neutron scattering measurements supported by ab initio and model Hamiltonian simulations have been used to investigate the magnetic ground state of Na 2 ⁢PrO 3 . μSR reveals a Néel antiferromagnetic order below T N ~ 4.9K, with a small static magnetic moment m static ≤ 0.22 μ B /Pr collinearly aligned along the c axis. Inelastic neutron measurements reveal the full spectrum of crystal field excitations and confirm that the Pr 4+ ground-state wave function deviates significantly from the Γ 7 limit that is relevant to the Kitaev model. Single- and two-magnon excitations are observed in the ordered state below T N =4.6K and are well described by nonlinear spin wave theory from the Néel state using a magnetic Hamiltonian with Heisenberg exchange J=1 meV and symmetric anisotropic exchange Γ/J=0.1, corresponding to an XY model. Intense two magnon excitations are accounted for by g-factor anisotropy g z /g ± = 1.29. A fluctuating moment δm 2 = 0.57 ⁢(22) ⁢μ$^2_B$/Pr extracted from the energy and momentum integrated inelastic neutron signal is reduced from expectations for a local J = 1/2 moment with average g factor g avg ≈ 1.1. Together, the results demonstrate that the small moment in Na 2 ⁢PrO 3 arises from crystal field and covalency effects and the material does not exhibit significant quantum fluctuations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spectral Filtering Induced by Non-Hermitian Evolution with Balanced Gain and Loss: Enhancing Quantum Chaos

Here, the dynamical signatures of quantum chaos in an isolated system are captured by the spectral form factor, which exhibits as a function of time a dip, a ramp, and a plateau, with the ramp being governed by the correlations in the level spacing distribution. While decoherence generally suppresses these dynamical signatures, the nonlinear non-Hermitian evolution with balanced gain and loss (BGL) in an energy-dephasing scenario can enhance manifestations of quantum chaos. In the Sachdev-Ye-Kitaev model and random matrix Hamiltonians, BGL increases the span of the ramp, lowering the dip as well as the value of the plateau, providing an experimentally realizable physical mechanism for spectral filtering. The chaos enhancement due to BGL is optimal over a family of filter functions that can be engineered with fluctuating Hamiltonians.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Quantum Spin Dynamics Due to Strong Kitaev Interactions in the Triangular-Lattice Antiferromagnet CsCeSe 2

The extraordinary properties of the Kitaev model have motivated an intense search for new physics in materials that combine geometrical and bond frustration. In this Letter, we employ inelastic neutron scattering, spin wave theory, and exact diagonalization to study the spin dynamics in the perfect triangular-lattice antiferromagnet (TLAF) CsCeSe 2 . This material orders into a stripe phase, which is demonstrated to arise as a consequence of the off-diagonal bond-dependent terms in the spin Hamiltonian. By studying the spin dynamics at intermediate fields, we identify an interaction between the single-magnon state and the two-magnon continuum that causes decay of coherent magnon excitations, level repulsion, and transfer of spectral weight to the continuum that are controlled by the strength of the magnetic field. Our results provide a microscopic mechanism for the stabilization of the stripe phase in TLAF and show how complex many-body physics can be present in the spin dynamics in a magnet with strong Kitaev coupling even in an ordered ground state. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Many-Body Level Statistics of Single-Particle Quantum Chaos

We consider a noninteracting many-fermion system populating levels of a unitary random matrix ensemble (equivalent to the q = 2 complex Sachdev-Ye-Kitaev model)—a generic model of single-particle quantum chaos. We study the corresponding many-particle level statistics by calculating the spectral form factor analytically using algebraic methods of random matrix theory, and match it with an exact numerical simulation. Despite the integrability of the theory, the many-body spectral rigidity is found to have a surprisingly rich landscape. In particular, we find a residual repulsion of distant many-body levels stemming from single-particle chaos, together with islands of level attraction. These results are encoded in an exponential ramp in the spectral form factor, which we show to be a universal feature of nonergodic many-fermion systems embedded in a chaotic medium.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Dynamics of fractionalized mean-field theories: Consequences for Kitaev materials

There have been substantial recent efforts, both experimentally and theoretically, to find a material realization of the Kitaev spin liquid—the ground state of the exactly solvable Kitaev model on the honeycomb lattice. Candidate materials are now plentiful, but the presence of non-Kitaev terms makes comparison between theory and experiment challenging. Here, we rederive time-dependent Majorana mean-field theory and extend it to include quantum phase information, allowing the direct computation of the experimentally relevant dynamical spin-spin correlator, which reproduces exact results for the unperturbed model. In contrast to previous work, we find that small perturbations do not substantially alter the exact result, implying that α-RuCl 3 is perhaps farther from the Kitaev phase than originally thought. Our approach generalizes to any correlator and to any model where Majorana mean-field theory is a valid starting point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗