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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Field-Tunable Interactions and Frustration in Underlayer-Mediated Artificial Spin Ice

We report that artificial spin ice systems have opened experimental windows into a range of model magnetic systems through the control of interactions among nanomagnet moments. This control has previously been enabled by altering the nanomagnet size and the geometry of their placement. Here we demonstrate that the interactions in artificial spin ice can be further controlled by including a soft ferromagnetic underlayer below the moments. Such a substrate also breaks the symmetry in the array when magnetized, introducing a directional component to the correlations. Using spatially resolved magneto-optical Kerr effect microscopy to image the demagnetized ground states, we show that the correlation of the demagnetized states depends on the direction of the underlayer magnetization. Further, the relative interaction strength of nearest and next-nearest neighbors varies significantly with the array geometry. We exploit this feature to induce frustration in an inherently unfrustrated square lattice geometry, demonstrating new possibilities for effective geometries in two-dimensional nanomagnetic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Lieb-Robinson Light Cone for Power-Law Interactions

The Lieb-Robinson theorem states that information propagates with a finite velocity in quantum systems on a lattice with nearest-neighbor interactions. What are the speed limits on information propagation in quantum systems with power-law interactions, which decay as 1 / r α at distance r ? Here, we present a definitive answer to this question for all exponents α > 2 d and all spatial dimensions d . Schematically, information takes time at least r min { 1 , α - 2 d } to propagate a distance r . As recent state transfer protocols saturate this bound, our work closes a decades-long hunt for optimal Lieb-Robinson bounds on quantum information dynamics with power-law interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Geometric Frustration on the Trillium Lattice in a Magnetic Metal-Organic Framework

In the dense metal-organic framework Na [ Mn ( HCOO ) 3 ] , Mn 2 + ions ( S = 5 2 ) occupy the nodes of a “trillium” net. In this work, we show that the system is strongly magnetically frustrated: the Néel transition is suppressed well below the characteristic magnetic interaction strength; short-range magnetic order persists far above the Néel temperature; and the magnetic susceptibility exhibits a pseudo-plateau at 1 3 -saturation magnetization. A simple model of nearest-neighbor Heisenberg antiferromagnetic and dipolar interactions accounts quantitatively for all observations, including an unusual 2- k magnetic ground state. We show that the relative strength of dipolar interactions is crucial to selecting this particular ground state. Geometric frustration within the classical spin liquid regime gives rise to a large magnetocaloric response at low applied fields that is degraded in powder samples as a consequence of the anisotropy of dipolar interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Quantum Phase Diagram and Spontaneously Emergent Topological Chiral Superconductivity in Doped Triangular-Lattice Mott Insulators

The topological superconducting state is a highly sought-after quantum state hosting topological order and Majorana excitations. Here, in this Letter, we explore the mechanism to realize the topological superconductivity (TSC) in the doped Mott insulators with time-reversal symmetry (TRS). Through large-scale density matrix renormalization group study of an extended triangular-lattice t–J model on the six- and eight-leg cylinders, we identify a d + id-wave chiral TSC with spontaneous TRS breaking, which is characterized by a Chern number C=2 and quasi-long-range superconducting order. We map out the quantum phase diagram with by tuning the next-nearest-neighbor (NNN) electron hopping and spin interaction. In the weaker NNN-coupling regime, we identify a pseudogaplike phase with a charge stripe order coexisting with fluctuating superconductivity, which can be tuned into d -wave superconductivity by increasing the doping level and system width. The TSC emerges in the intermediate-coupling regime, which has a transition to a d-wave superconducting phase with larger NNN couplings. The emergence of the TSC is driven by geometrical frustrations and hole dynamics which suppress spin correlation and charge order, leading to a topological quantum phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Artificial Magnetic Tripod Ice

We study the collective behavior of interacting arrays of nanomagnetic tripods. These objects have six discrete moment states, in contrast to the usual two states of an Ising-like moment. Our experimental data demonstrate that triangular lattice arrays form a “tripod ice” that exhibits charge ordering among the effective vertex magnetic charges, in direct analogy to artificial kagome spin ice. The results indicate that the interacting tripods have effective moments that act as emergent local variables, with strong connections to the well-studied Potts and clock models. In addition, the tripod moments display a tendency toward a nearest neighbor alignment in our thermalized samples that separates this system from kagome spin ice. In conclusion, our results open a path toward the study of the collective behavior of nonbinary moments that is unavailable in other physical systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Continuous Spin Excitations in the Three-Dimensional Frustrated Magnet K 2 Ni 2 ⁢(SO 4 ) 3

Continuous spin excitations are widely recognized as one of the hallmarks of novel spin states in quantum magnets, such as quantum spin liquids (QSLs). Here, we report the observation of such kind of excitations in K 2 Ni 2 (SO 4 ) 3 , which consists of two sets of intersected spin-1 (Ni 2+ ) trillium lattices. Our inelastic neutron scattering measurement on single crystals clearly shows a dominant excitation continuum, which exhibits a distinct temperature-dependent behavior from that of spin waves and is rooted in strong quantum spin fluctuations. Further using the self-consistent-Gaussian-approximation method, we determine that the fourth- and fifth nearest-neighbor exchange interactions are dominant. These two bonds together form a unique three-dimensional network of corner-sharing tetrahedra, which we name as a “hypertrillium” lattice. In conclusion, our results provide direct evidence for the existence of QSL features in K 2 Ni 2 (SO 4 ) 3 and highlight the potential for the hypertrillium lattice to host frustrated quantum magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Emergent Superconductivity and Competing Charge Orders in Hole-Doped Square-Lattice t – J Model

The square-lattice Hubbard and closely related t-J models are considered as basic paradigms for understanding strong correlation effects and unconventional superconductivity (SC). Recent large-scale density matrix renormalization group simulations on the extended t-J model have identified d-wave SC on the electron-doped side (with the next-nearest-neighbor hopping t 2 > 0) but a dominant charge density wave (CDW) order on the hole-doped side (t 2 < 0), which is inconsistent with the SC of hole-doped cuprate compounds. We re-examine the ground-state phase diagram of the extended t-J model by employing the state-of-the-art density matrix renormalization group calculations with much enhanced bond dimensions, allowing more accurate determination of the ground state. On six-leg cylinders, while different CDW phases are identified on the hole-doped side for the doping range δ = 1/16 – 1/8, a SC phase emerges at a lower doping regime, with algebraically decaying pairing correlations and d-wave symmetry. On the wider eight-leg systems, the d-wave SC also emerges on the hole-doped side at the optimal 1=8 doping, demonstrating the winning of SC over CDW by increasing the system width. Furthermore, our results not only suggest a new path to SC in general t-J model through weakening the competing charge orders, but also provide a unified understanding on the SC of both hole- and electron-doped cuprate superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Krylov Subspace Methods for Quantum Dynamics with Time-Dependent Generators

Krylov subspace methods in quantum dynamics identify the minimal subspace in which a process unfolds. To date, their use is restricted to time evolutions governed by time-independent generators. Here, we introduce a generalization valid for driven quantum systems governed by a time-dependent Hamiltonian that maps the evolution to a diffusion problem in a one-dimensional lattice with nearest-neighbor hopping probabilities that are inhomogeneous and time dependent. This representation is used to establish a novel class of fundamental limits to the quantum speed of evolution and operator growth. We also discuss generalizations of the algorithm, adapted to discretized time evolutions and periodic Hamiltonians, with applications to many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Emergence of Intermediate Range Order in Jammed Packings

We perform a structural analysis of large scale jammed packings of monodisperse, frictionless and frictional spheres to elucidate structural signatures of the static structure factor in the low-to-intermediate wave number region. We employ discrete element method simulations containing up to 8×10^{7} particles, in which the particle friction coefficient(s), including sliding, rolling, and twisting interactions, are varied. At intermediate wave number values, corresponding to length scales that lie between that of the nearest neighbor primary peak and the system size, we find the emergence of a prepeak-a signature of intermediate range order-that grows with increasing friction. We correlate the emergence of this peak to real space fluctuations in the local particle coordination number, which exhibits a grainy fluctuating field throughout the packing process that is retained in the final, mechanically stable state. While the formation of the prepeak shows varying degrees of robustness to packing protocol changes, our results suggest that preparation history may be used to construct packings with variable large length scale structural properties.

Monti, Joseph M↗
DOE OSTI2021

Antiphase boundary migration as a diffusion mechanism in a P3 sodium layered oxide

The electrode materials of Na-ion batteries must exhibit fast ion transport, a property that is often negatively impacted when mobile cations order. Many layered Na (and K) intercalation compounds adopt the P3 crystal structure, which tends to stabilize cation-vacancy orderings over a wide range of Na concentrations. The ordered phases have been predicted to consist of domains that are periodically separated by antiphase boundaries (APBs) to accommodate variations in Na concentration. The mechanisms and rates with which Na diffuses within such ordered phases of P3 are not understood. We have conducted a first-principles study of Na diffusion in the P3 structure, using Na x CoO 2 as a model system. We find that most simple nearest-neighbor hops in Na-vacancy ordered phases in P3 result in unstable configurations and are therefore forbidden. We identify an alternative mechanism of Na transport that is mediated by APB migration via the formation and expansion of kinks along domain boundaries. The limiting kinetic barriers for this mechanism are quite low (0.03 to 0.30 eV). Vacancy defects are not required, and furthermore have formation energies that are higher than those of the APB kink defects. Furthermore, our results suggest that APB migration is a fundamental diffusion mechanism in the P3 structure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Magnetic order and spin liquid behavior in [Mo 3 ] 11+ molecular magnets

Molecular magnets based on [Mo 3 ] 11+ units with one unpaired electron per trimer have attracted recent interest due to the identification of quantum spin liquid candidacy in some family members. Here, we present comprehensive measurements on polycrystalline samples of ZnScMo 3 O 8 , MgScMo 3 O 8 , and Na 3 Sc 2 Mo 5 O 16 with the same Mo 3 O 13 magnetic building blocks. In this work, the crystal structures are characterized with x-ray or neutron powder diffraction and the magnetic ground states are determined by performing ac and dc susceptibility, specific heat, neutron powder diffraction, and muon spin relaxation measurements. Our work indicates that ZnScMo 3 O 8 and MgScMo 3 O 8 have ferromagnetic Curie-Weiss temperatures of 18.5 and 11.9 K, ordered ground states with net moments (low-moment ferromagnetism or canted antiferromagnetism), and zero field ordering temperatures of $T_c$ = 6 K and $T_c$ < 2 K, respectively. On the other hand, Na 3 Sc 2 Mo 5 O 16 hosts a dynamical magnetic ground state with no evidence for magnetic ordering or spin freezing down to 20 mK despite an antiferromagnetic Curie-Weiss temperature of –36.2 K, and therefore is a candidate for quantum spin liquid behavior. By comparing the present results to past work on the same family of materials, we construct a phase diagram which illustrates that the magnetic ground states of these Mo-based molecular magnets are very sensitive to small changes in the nearest-neighbor Mo-Mo distance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Orbital correlations in ultrathin films of late transition metals

We develop a two-orbital Hubbard model of electron correlations in ultrathin (111)-oriented fcc films of late transition metals such as Co and Ni. Our model indicates that the Mott-Hund’s interaction results in ferromagnetic nearest-neighbor orbital correlations. Frustration associated with the mismatch between orbital and crystal symmetries prevents orbital ordering, resulting in the orbital liquid state. This state can be manifested in phenomena involving spin-orbit coupling, such as magnetic anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Extreme sensitivity of the magnetic ground state to halide composition in FeCl 3 – x Br x

Mixed halide chemistry has recently been utilized to tune the intrinsic magnetic properties of transition-metal halides—one of the largest families of magnetic van der Waals materials. Prior studies have shown that the strength of exchange interactions, hence the critical temperature, can be tuned smoothly with halide composition for a given ground state. Here we show that the ground state itself can be altered by a small change of halide composition in FeCl 3–$x$ Br $x$ . Specifically, we find a threefold jump in the Néel temperature and a sign change in the Weiss temperature at $x$=0.08 corresponding to only 3% bromine doping. Using neutron scattering, we reveal a change of the ground state from spiral order in FeCl 3 to $A$-type antiferromagnetic order in FeBr 3 . From first-principles calculations, we show that a delicate balance between nearest and next-nearest neighbor interactions is responsible for such a transition. In conclusion, these results demonstrate how varying the halide composition can tune the competing interactions and change the ground state of a spiral spin liquid system.

2-dimensional systems↗
DOE OSTI2023

Anisotropic magnetism of the Shastry-Sutherland lattice material BaNd 2 PtO 5

For this work, single crystals were grown and characterized to investigate the physical properties and magnetic ground state of BaNd 2 PtO 5 , a candidate to host physics of the Shastry-Sutherland model. Analysis of single crystal x-ray diffraction data yields an updated crystal structure, similar to the prior report but now in space group P4/mbm. Magnetization and specific heat measurements reveal an antiferromagnetic transition at T N =1.9K and a large magnetic anisotropy with in-plane magnetization much larger than out-of-plane magnetization. Single crystal neutron diffraction at zero field reveals a propagation vector of ($\frac{1}{2}$$\frac{1}{2}$$\frac{1}{2}$) for the magnetic ground state as compared to the ($\frac{1}{2}$$\frac{1}{2}$0) wave vector observed in the related body-centered material BaNd 2 ZnO 5 . The ground state is found to be a fully compensated antiferromagnet with diffraction data well fitted within the magnetic space group P S –1 (BNS setting #2.7). The ordered moment is mostly in the basal plane with nearest neighbors forming ferromagnetic dimers, however it also has a finite out-of-plane component unlike the related easy-plane materials BaNd 2 ZnO 5 and BaNd 2 ZnS 5 . Field-induced transitions are observed below T N when the field is applied within the basal plane, and in-plane anisotropy of the associated critical fields is observed. The magnetization is strongly impacted by misalignment of the field away from high symmetry directions. These results suggest complex magnetic structures may arise in the field-induced states, and they highlight the need for extreme care when studying this and related Shastry-Sutherland materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Single crystal growth, chemical defects, magnetic and transport properties of antiferromagnetic topological insulators ( Ge 1 – δ – x Mn x ) 2 Bi 2 Te 5 ( x ≤ 0.47 , 0.11 ≤ δ ≤ 0.20 )

Magnetic topological insulators provide a platform for emergent phenomena arising from the interplay between magnetism and band topology. Here we report the single crystal growth, crystal structure, magnetic and transport properties, as well as the neutron scattering studies of topological insulator series (Ge 1–δ–x Mn x ) 2 ⁢Bi 2 ⁢Te 5 (x ≤ 0.47, 0.11 ≤ δ ≤ 0.20). Upon doping up to x = 0.47, the lattice parameter c decreases by 0.8%, while the lattice parameter a remains nearly unchanged. Significant Ge vacancies and Ge/Bi site mixing are revealed via elemental analysis as well as refinements of the neutron and x-ray diffraction data, resulting in holes dominating the charge transport. At x = 0.47, below 10.8 K, a bilayer A-type antiferromagnetic ordered state emerges, featuring an ordered moment of 3.0(3) μ B /Mn at 5 K, with the c axis as the easy axis. Magnetization data unveils a much stronger effective interlayer antiferromagnetic exchange interaction and a much smaller uniaxial anisotropy compared to MnBi 2 ⁢Te 4 . We attribute the former to the shorter nearest-neighbor Mn-Mn interlayer superexchange path and the latter to the smaller ligand-field splitting in (Ge 1–δ–x ⁢Mn x ) 2 ⁢Bi 2 ⁢Te 5 . Finally, our study demonstrates that this series of materials holds promise for the investigation of the layer Hall effect and quantum metric nonlinear Hall effect.

36 MATERIALS SCIENCE↗
DOE OSTI2023

First-principles derivation of magnetic interactions in the triangular quantum spin liquid candidates KYb C h 2 ( C h = S , Se , Te ) and A YbSe 2 ( A = Na , Rb )

The AYb Ch 2 (A=alkali metal, Ch=chalcogen) delafossites are a family of crystals which have a triangular lattice of effective S=1/2 moments on their Yb atoms. They hold great promise for the realization of the triangular quantum spin liquid state because of their defect-minimized growth and the ability to interchange chemical constituencies among the family. Here we use ab initio computations to evaluate the exchange couplings of four realized (and one theoretical) rhombohedral delafossite structures and examine the influence of chemical substitution on promoting the development of a quantum spin liquid state. We find good agreement with experiment regarding the antiferromagnetic nearest-neighbor exchange J 1 , but our calculations underestimate J 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dynamics and phases of nonunitary Floquet transverse-field Ising model

Inspired by current research on measurement-induced quantum phase transitions, we analyze the nonunitary Floquet transverse-field Ising model with complex nearest-neighbor couplings and complex transverse fields. Unlike its unitary counterpart, the model shows a number of steady phases, stable to integrability-breaking perturbations. Some phases have robust edge modes and/or spatiotemporal long-range orders in the bulk. The transitions between the phases have extensive entanglement entropy, whose scaling with the system size depends on the number of the real quasiparticle modes in the spectrum at the transition. In particular, the volume-law scaling appears on some critical lines, protected by pseudo-Hermiticity. Both the scaling of entanglement entropy in steady states and the evolution after a quench are compatible with the non-Hermitian generalization of the quasiparticle picture of Calabrese and Cardy at least qualitatively. Published by the American Physical Society 2024

Su, Lei (ORCID:0009000455290786)↗