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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Phase diagram of the Su-Schrieffer-Heeger-Hubbard model on a square lattice

The Hubbard and Su-Schrieffer-Heeger (SSH) Hamiltonians are iconic models for understanding the qualitative effects of electron-electron and electron-phonon interactions, respectively. In the two-dimensional square lattice Hubbard model at half filling, the on-site Coulomb repulsion U between up and down electrons induces antiferromagnetic (AFM) order and a Mott insulating phase. On the other hand, for the SSH model, there is an AFM phase when the electron-phonon coupling λ is less than a critical value λ c and a bond order wave when λ > λ c . In this Letter, we perform numerical studies on the square lattice optical Su-Schrieffer-Heeger-Hubbard Hamiltonian, which combines both interactions. We use the determinant quantum Monte Carlo method which does not suffer from the fermionic sign problem at half filling. We map out the phase diagram and find that it exhibits a direct first-order transition between an antiferromagnetic phase and a bond-ordered wave as λ increases. Here, the AFM phase is characterized by two different regions. At smaller λ the behavior is similar to that of the pure Hubbard model; the other region, while maintaining long-range AFM order, exhibits larger kinetic energies and double occupancy, i.e., larger quantum fluctuations, similar to the AFM phase found in the pure SSH model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Z 2 topological order and first-order quantum phase transitions in systems with combinatorial gauge symmetry

We study a generalization of the two-dimensional transverse-field Ising model, combining both ferromagnetic and antiferromagnetic two-body interactions, that hosts exact global and local Z 2 gauge symmetries. Using exact diagonalization and stochastic series expansion quantum Monte Carlo methods, we confirm the existence of the topological phase in line with previous theoretical predictions. Our simulation results show that the transition between the confined topological phase and the deconfined paramagnetic phase is of first order, in contrast to the conventional Z 2 lattice gauge model in which the transition maps onto that of the standard Ising model and is continuous. We further generalize the model by replacing the transverse field on the gauge spins with a ferromagnetic X X interaction while keeping the local gauge symmetry intact. We find that the Z 2 topological phase remains stable, while the paramagnetic phase is replaced by a ferromagnetic phase. The topological-ferromagnetic quantum phase transition is also of first order. For both models, we discuss the low-energy spinon and vison excitations of the topological phase and their avoided level crossings associated with the first-order quantum phase transitions.

2-dimensional systems↗
DOE OSTI2020

Superuniversality from disorder at two-dimensional topological phase transitions

We investigate the effects of quenched randomness on topological quantum phase transitions in strongly interacting two-dimensional systems. We focus first on transitions driven by the condensation of a subset of fractionalized quasiparticles (“anyons”) identified with “electric charge” excitations of a phase with intrinsic topological order. All other anyons have nontrivial mutual statistics with the condensed subset and hence become confined at the anyon condensation transition. Furthermore, using a combination of microscopically exact duality transformations and asymptotically exact real-space renormalization group techniques applied to these two-dimensional disordered gauge theories, we argue that the resulting critical scaling behavior is “superuniversal” across a wide range of such condensation transitions and is controlled by the same infinite-randomness fixed point as that of the 2D random transverse-field Ising model. We validate this claim using large-scale quantum Monte Carlo simulations that allow us to extract zero-temperature critical exponents and correlation functions in (2+1)D disordered interacting systems. We discuss generalizations of these results to a large class of ground-state and excited-state topological transitions in systems with intrinsic topological order as well as those where topological order is either protected or enriched by global symmetries. When the underlying topological order and the symmetry group are Abelian, our results provide prototypes for topological phase transitions between distinct many-body localized phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Quantum anomalous Hall effect in two-dimensional magnetic insulator heterojunctions

Abstract Recent years have witnessed tremendous success in the discovery of topological states of matter. Particularly, sophisticated theoretical methods in time-reversal-invariant topological phases have been developed, leading to the comprehensive search of crystal database and the prediction of thousands of topological materials. In contrast, the discovery of magnetic topological phases that break time reversal is still limited to several exemplary materials because the coexistence of magnetism and topological electronic band structure is rare in a single compound. To overcome this challenge, we propose an alternative approach to realize the quantum anomalous Hall (QAH) effect, a typical example of magnetic topological phase, via engineering two-dimensional (2D) magnetic van der Waals heterojunctions. Instead of a single magnetic topological material, we search for the combinations of two 2D (typically trivial) magnetic insulator compounds with specific band alignment so that they can together form a type-III broken-gap heterojunction with topologically non-trivial band structure. By combining the data-driven materials search, first-principles calculations, and the symmetry-based analytical models, we identify eight type-III broken-gap heterojunctions consisting of 2D ferromagnetic insulators in the MXY compound family as a set of candidates for the QAH effect. In particular, we directly calculate the topological invariant (Chern number) and chiral edge states in the MnNF/MnNCl heterojunction with ferromagnetic stacking. This work illustrates how data-driven material science can be combined with symmetry-based physical principles to guide the search for heterojunction-based quantum materials hosting the QAH effect and other exotic quantum states in general.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Role of bath-induced many-body interactions in the dissipative phases of the Su-Schrieffer-Heeger model

The Su-Schrieffer-Heeger chain is a prototype example of a symmetry-protected topological insulator. Coupling it nonperturbatively to local thermal environments, either through the intercell or the intracell fermion tunneling elements, modifies the topological window. To understand this effect, we employ the recently developed reaction-coordinate polaron transform (RCPT) method, which allows treating system-bath interactions at arbitrary strengths. The effective system Hamiltonian, which is obtained via the RCPT, exposes the impact of the baths on the SSH chain through renormalization of tunneling elements and the generation of many-body interaction terms. By performing exact diagonalization and computing the ensemble geometric phase, a topological invariant, which is applicable even to systems at finite temperature, we distinguish the trivial band insulator (BI) from the topological insulator (TI) phases. Furthermore, through the RCPT mapping, we are able to pinpoint the main mechanism behind the extension of the parameter space for the TI or the BI phases (depending on the coupling scheme, intracell or intercell), which is the bath-induced, dimerized, many-body interaction. In conclusion, we also study the effect of on-site staggered potentials on the SSH phase diagram and discuss extensions of our method to higher dimensions.

1-dimensional systems↗
DOE OSTI2020

Detecting Fractional Chern Insulators in Optical Lattices Through Quantized Displacement

The realization of interacting topological states of matter such as fractional Chern insulators (FCIs) in cold atom systems has recently come within experimental reach due to the engineering of optical lattices with synthetic gauge fields providing the required topological band structures. However, detecting their occurrence might prove difficult since transport measurements akin to those in solid state systems are challenging to perform in cold atom setups and alternatives have to be found. Here, we show that for a ν = 1/2 FCI state realized in the lowest band of a Harper-Hofstadter model of interacting bosons confined by a harmonic trapping potential, the fractionally quantized Hall conductivity σ xy can be accurately determined by the displacement of the atomic cloud under the action of a constant force which provides a suitable experimentally measurable signal for detecting the topological nature of the state. Using matrix-product state algorithms, we show that, in both cylinder and square geometries, the movement of the particle cloud in time under the application of a constant force field on top of the confining potential is proportional to σ xy for an extended range of field strengths.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Diagonal entropy and topological phase transitions in extended Kitaev chains

We investigate the diagonal entropy for ground states of the extended Kitaev chains with extensive pairing and hopping terms. The systems contain rich topological phases equivalently represented by topological invariant winding numbers and Majorana zero modes. Both the finite size scaling law and block scaling law of the diagonal entropy are studied, which indicates that the diagonal entropy demonstrates volume effect. The parameter of volume term is regarded as the diagonal entropy density, which can identify the critical points of symmetry-protected topological phase transitions efficiently in the studied models, even for those with higher winding numbers. The formulation of block scaling law and the capability of diagonal entropy density in detecting topological phase transitions are independent of the chosen bases. In order to manifest the advantage of diagonal entropy, we also calculate the global entanglement, which cannot show clear signatures of the topological phase transitions. This work provides a new quantum-informatic approach to characterize the feature of the topologically ordered states and may motivate a deep understanding of the quantum coherence and diagonal entropy in various condensed matter systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

String Phase in an Artificial Spin Ice

Abstract One-dimensional strings of local excitations are a fascinating feature of the physical behavior of strongly correlated topological quantum matter. Here we study strings of local excitations in a classical system of interacting nanomagnets, the Santa Fe Ice geometry of artificial spin ice. We measured the moment configuration of the nanomagnets, both after annealing near the ferromagnetic Curie point and in a thermally dynamic state. While the Santa Fe Ice lattice structure is complex, we demonstrate that its disordered magnetic state is naturally described within a framework of emergent strings. We show experimentally that the string length follows a simple Boltzmann distribution with an energy scale that is associated with the system’s magnetic interactions and is consistent with theoretical predictions. The results demonstrate that string descriptions and associated topological characteristics are not unique to quantum models but can also provide a simplifying description of complex classical systems with non-trivial frustration.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Correlated Hofstadter spectrum and flavour phase diagram in magic-angle twisted bilayer graphene

In magic-angle twisted bilayer graphene, the moiré superlattice potential gives rise to narrow electronic bands that support a multitude of many-body quantum phases. Further richness arises in the presence of a perpendicular magnetic field, where the interplay between moiré and magnetic length scales leads to fractal Hofstadter subbands. In this strongly correlated Hofstadter platform, multiple experiments have identified gapped topological and correlated states, but little is known about the phase transitions between them in the intervening compressible regimes. Here we simultaneously unveil sequences of broken-symmetry Chern insulators and resolve sharp phase transitions between competing states with different topological quantum numbers and different occupations of the spin-valley flavour. Our measurements determine the energy spectrum of interacting Hofstadter subbands in magic-angle twisted bilayer graphene and map out the phase diagram of flavour occupancy. In addition, we observe full lifting of the degeneracy of the zeroth Landau levels together with level crossings, indicating moiré valley splitting. We propose a unified flavour polarization mechanism to understand the intricate interplay of topology, interactions and symmetry breaking as a function of density and applied magnetic field in this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Data transmission by quantum matter wave modulation

Abstract Classical communication schemes exploiting wave modulation are the basis of our information era. Quantum information techniques with photons enable future secure data transfer in the dawn of decoding quantum computers. Here we demonstrate that also matter waves can be applied for secure data transfer. Our technique allows the transmission of a message by a quantum modulation of coherent electrons in a biprism interferometer. The data is encoded in the superposition state by a Wien filter introducing a longitudinal shift between separated matter wave packets. The transmission receiver is a delay line detector performing a dynamic contrast analysis of the fringe pattern. Our method relies on the Aharonov–Bohm effect but does not shift the phase. It is demonstrated that an eavesdropping attack will terminate the data transfer by disturbing the quantum state and introducing decoherence. Furthermore, we discuss the security limitations of the scheme due to the multi-particle aspect and propose the implementation of a key distribution protocol that can prevent active eavesdropping.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Bilayer Hubbard model: Analysis based on the fermionic sign problem

The bilayer Hubbard model describes the antiferromagnet to spin singlet transition and, potentially, aspects of the physics of unconventional superconductors. Despite these important applications, significant aspects of its phase diagram in the interplane hopping t ⊥ versus on-site interaction U parameter space, at half filling, are largely in disagreement. Here we provide an analysis making use of the average sign of weights over the course of the importance sampling in quantum Monte Carlo simulations to resolve several central open questions. Specifically, this metric of the weights clarifies the finite-sized metallic regimes at small U. Furthermore, at strong interactions, it points to the existence of a crossover from a correlated to uncorrelated band insulator not yet explored in a variety of existing, unbiased numerical methods. Our paper demonstrates the versatility of using properties of the weights in quantum Monte Carlo simulations to reveal important physical characteristics of the models under study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Hund’s coupling mediated multi-channel quantum phase transition of a single magnetic impurity in Fe(Se, Te)

Understanding the interplay between individual magnetic impurities and superconductivity is crucial for bottom-up construction of novel phases of matter. Sub-gap bound states that are used in this endeavor are typically considered as independent entities that each result from the exchange scattering between the respective impurity orbitals and electrons of the superconducting condensate. Here we present experimental evidence of individual multi-spin impurities where the sub-gap states are not independent. Specifically, we find that by tuning the energy of the state closest to zero through zero, all other sub-gap states change particle-hole asymmetry as well. We show that this can be understood by including Hund’s coupling, which favors high-spin configurations, into a multi-orbital Anderson model. Unlike for the case of independent spins, the transition we observe signals the simultaneous departure of more than one quasiparticle from the impurity, while the parity of the ground state may remain unchanged. Our results show that Hund’s coupling is not only crucial in generating high-spin impurities, but also to understand the transition between two distinct ground states, and should therefore be taken into account for e.g. impurity-based band-structure engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantum phases of Rydberg atoms on a kagome lattice

Significance Programmable quantum simulators based on Rydberg atom arrays have recently emerged as versatile platforms for exploring exotic many-body phases and quantum dynamics of strongly correlated systems. In this work, we theoretically investigate the quantum phases that can be realized by arranging such Rydberg atoms on a kagome lattice. Along with an extensive analysis of the states which break lattice symmetries due to classical correlations, we identify an intriguing regime that constitutes a promising candidate for hosting a phase with long-range quantum entanglement and topological order. Our results provide a route to experimentally realizing and probing highly entangled quantum matter.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Broken symmetries associated with a Kagome chiral charge order

Chirality, or handedness, is ubiquitous in science, from cell biology to physics, and in condensed matter can underlie exotic phases such as chiral charge density waves and chiral superconductivity. However, detecting subtle broken symmetries that define such states is challenging, leading to debate and controversy. Here, using second-order optical response, we reveal the broken symmetries of a chiral charge density wave in the Kagome lattice KV 3 Sb 5 . Polarization-dependent mid-infrared photocurrent microscopy uncovers a longitudinal, helicity-dependent photocurrent associated with the charge order, indicating broken inversion and mirror symmetries. These findings, supported by theoretical analysis, directly establish the intrinsic chiral nature of the ordered state. Moreover, the absence of a circular photogalvanic effect perpendicular to the incident light imposes stringent constraints on the point-group symmetries. Our study not only visualizes the chiral nature of the Kagome charge order, but also highlights the nonlinear photogalvanic effect as a sensitive probe for detecting subtle symmetry breakings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Thermal tolerance of perovskite quantum dots dependent on A-site cation and surface ligand

A detailed picture of temperature dependent behavior of Cs x FA 1-x PbI 3 perovskite quantum dots across the composition range is constructed by performing in situ optical spectroscopic and structural measurements, supported by theoretical calculations that focus on the relation between A-site chemical composition and surface ligand binding. The thermal degradation mechanism depends not only on the exact chemical composition, but also on the ligand binding energy. The thermal degradation of Cs-rich perovskite quantum dots is induced by a phase transition from black γ-phase to yellow δ-phase, while FA-rich perovskite quantum dots with higher ligand binding energy directly decompose into PbI 2 . Quantum dot growth to form large bulk size grain is observed for all Cs x FA 1-x PbI 3 perovskite quantum dots at elevated temperatures. In addition, FA-rich quantum dots possess stronger electron-longitudinal optical phonon coupling, suggesting that photogenerated excitons in FA-rich quantum dots have higher probability to be dissociated by phonon scattering compared to Cs-rich quantum dots.

14 SOLAR ENERGY↗
DOE OSTI2021

Gauging anomalous unitary operators

Boundary theories of static bulk topological phases of matter are obstructed in the sense that they cannot be realized on their own as isolated systems. The obstruction can be quantified/characterized by quantum anomalies, in particular when there is a global symmetry. Similarly, topological Floquet evolutions can realize obstructed unitary operators at their boundaries. In this paper, we discuss the characterization of such obstructions by using quantum anomalies. As a particular example, here we discuss time-reversal symmetric boundary unitary operators in one and two spatial dimensions, where the anomaly emerges as we gauge the so-called Kubo-Martin-Schwinger (KMS) symmetry. We also discuss mixed anomalies between particle number conserving U(1) symmetry and discrete symmetries, such as C and CP, for unitary operators in odd spatial dimensions that can be realized at the boundaries of topological Floquet systems in even spatial dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Pathways from a chiral superconductor to a composite Fermi liquid

Recent experiments have reported chiral time-reversal broken superconductivity in n-layer rhombohedral graphene for n=4,5,6. Introducing a moiré potential by alignement with a hexagonal boron nitride substrate suppresses the superconductivity but leads instead to various fractional quantum anomalous Hall phenomena. Motivated by these observations, we consider the fate of the phase transition between (a chiral) Landau Fermi liquid (LFL) metal and a Composite Fermi Liquid (CFL) metal in the presence of attractive interactions. These are parent states, respectively, for the superconductor and the fractional quantum Hall states. For weak attractive interactions, the LFL is usually unstable to superconductivity while the CFL is stable. This raises the possibility of a direct continuous phase transition between the chiral superconductor and the CFL. However, we show that generically the LFL close to the transition to the CFL is stable against superconductivity. Furthermore the evolution between the CFL and chiral superconductor goes through an intermediate stable LFL phase for weak attractive interactions. With stronger interactions, the evolution can instead go through a non-Abelian paired quantum Hall state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Interfaces and the extended Hilbert space of Chern-Simons theory

The low energy effective field theories of (2 + 1) dimensional topological phases of matter provide powerful avenues for investigating entanglement in their ground states. In [1] the entanglement between distinct Abelian topological phases was investigated through Abelian Chern-Simons theories equipped with a set of topological boundary conditions (TBCs). In the present paper we extend the notion of a TBC to non-Abelian Chern-Simons theories, providing an effective description for a class of gapped interfaces across non-Abelian topological phases. These boundary conditions furnish a defining relation for the extended Hilbert space of the quantum theory and allow the calculation of entanglement directly in the gauge theory. Because we allow for trivial interfaces, this includes a generic construction of the extended Hilbert space in any (compact) Chern-Simons theory quantized on a Riemann surface. Additionally, this provides a constructive and principled definition for the Hilbert space of effective ground states of gapped phases of matter glued along gapped interfaces. Lastly, we describe a generalized notion of surgery, adding a powerful tool from topological field theory to the gapped interface toolbox.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗