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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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DOE OSTI2021

Anomaly-induced edge currents in hydrodynamics with parity anomaly

Here in this paper, we discuss relativistic hydrodynamics for a massless Dirac fermion in (2 + 1) dimensions, which has the parity anomaly—a global ’t Hooft anomaly between U(1) and parity symmetries. We investigate how hydrodynamics implements the party anomaly, particularly focusing on the transport phenomena at the boundary. Based on the parity anomaly matching and the second law of local thermodynamics, we find U(1) and entropy currents localized at the boundary, as well as the bulk anomalous current with vanishing divergence. These edge currents are similar to the ( 1 + 1)-dimensional chiral transports, but the coefficients are given by half of theirs. We also generalize our discussion to more general anomalies among multiple U(1) symmetries and single $\mathbb{Z}_2$ symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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 OSTI2022

Anomalous Hall effect at the Lifshitz transition in ZrTe 5

Zirconium pentatelluride ZrTe 5 is a topological semimetal. The presence of a temperature-induced Lifshitz transition, in which the Fermi level goes from the conduction band to the valence band with increasing temperature, provides unique opportunities to study the interplay between Fermi-surface topology, dynamics of Dirac fermions, and Berry curvature in one system. Here we present a combined experimental and theoretical study and show that a low-energy model can be used to understand the complicated Hall response and large anomalous Hall effect observed in ZrTe 5 over a wide range of temperature and magnetic field. We found that the anomalous Hall contribution dominates the Hall response in a narrow temperature window around the Lifshitz transition, away from which the orbital contribution dominates. Moreover, our results indicate that a topological phase transition coexists with the Lifshitz transition. To conclude, our model provides a unifying framework to understand the Hall effect in semimetals with large Zeeman splitting and nontrivial topology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Scrambling via braiding of nonabelions

We study how quantum states are scrambled via braiding in systems of non-Abelian anyons through the lens of entanglement spectrum statistics. In particular, we focus on the degree of scrambling, defined as the randomness produced by braiding, at the same amount of entanglement entropy. To quantify the degree of randomness, we define a distance between the entanglement spectrum level spacing distribution of a state evolved under random braids and that of a Haar-random state, using the Kullback-Leibler divergence D KL . We study D KL numerically for random braids of Majorana fermions (supplemented with random local four-body interactions) and Fibonacci anyons. For comparison, we also obtain D KL for the Sachdev-Ye-Kitaev model of Majorana fermions with all-to-all interactions, random unitary circuits built out of (a) Hadamard (H), π/8 (T), and CNOT gates, and (b) random unitary circuits built out of two-qubit Haar random unitaries. To compare the degree of randomness that different systems produce beyond entanglement entropy, we look at D KL as a function of the Page limit-normalized entanglement entropy S/S max . Furthermore, our results reveal a hierarchy of scrambling among various models—even for the same amount of entanglement entropy—at intermediate times, whereas all models exhibit the same late-time behavior. In particular, we find that braiding of Fibonacci anyons randomizes initial product states more efficiently than the universal H+T+CNOT set.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Topologically trivial gap-filling in superconducting Fe(Se,Te) by one-dimensional defects

Abstract Structural distortions and imperfections are a crucial aspect of materials science, on the macroscopic scale providing strength, but also enhancing corrosion and reducing electrical and thermal conductivity. At the nanometre scale, multi-atom imperfections, such as atomic chains and crystalline domain walls have conversely been proposed as a route to topological superconductivity, whose most prominent characteristic is the emergence of Majorana Fermions that can be used for error-free quantum computing. Here, we shed more light on the nature of purported domain walls in Fe(Se,Te) that may host 1D dispersing Majorana modes. We show that the displacement shift of the atomic lattice at these line-defects results from sub-surface impurities that warp the topmost layer(s). Using the electric field between the tip and sample, we manage to reposition the sub-surface impurities, directly visualizing the displacement shift and the underlying defect-free lattice. These results, combined with observations of a completely different type of 1D defect where superconductivity remains fully gapped, highlight the topologically trivial nature of 1D defects in Fe(Se,Te).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Anomalous connection between antiferromagnetic and superconducting phases in the pressurized noncentrosymmetric heavy-fermion compound CeRhG e 3

Unconventional superconductivity frequently emerges as the transition temperature of a magnetic phase, typically antiferromagnetic (AFM), is suppressed continuously toward zero temperature. Here in this paper, we report contrary behavior in pressurized CeRhGe 3 , a noncentrosymmetric heavy-fermion compound. We find that its pressure-tuned AFM transition temperature (T N ) appears to avoid a continuous decrease to zero temperature by terminating abruptly above a dome of pressure-induced superconductivity. Near 21.5 GPa, evidence for T N suddenly vanishes, the electrical resistance becomes linear in temperature, and the superconducting transition reaches a maximum. Analysis of high-pressure resistance and x-ray-absorption spectroscopy measurements suggest that the anomalous connection between antiferromagnetic and superconducting phases in pressurized CeRhGe 3 is associated with proximity to a critical valence instability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Interaction-Driven Spontaneous Quantum Hall Effect on a Kagome Lattice

Topological states of matter have been widely studied as being driven by an external magnetic field, intrinsic spin-orbital coupling, or magnetic doping. With this work, we unveil an interaction-driven spontaneous quantum Hall effect (a Chern insulator) emerging in an extended fermion-Hubbard model on a kagome lattice, based on a state-of-the-art density-matrix renormalization group on cylinder geometry and an exact diagonalization in torus geometry.We first demonstrate that the proposed model exhibits an incompressible liquid phase with doublet degenerate ground states as time-reversal partners. The explicit spontaneous time-reversal symmetry breaking is determined by emergent uniform circulating loop currents between nearest neighbors. Moreover, the fingerprint topological nature of the ground state is characterized by quantized Hall conductance. Hence, we identify the liquid phase as a quantum Hall phase, which provides a “proof-of-principle” demonstration of the interaction-driven topological phase in a topologically trivial noninteracting band.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Pomeranchuk Instability of Composite Fermi Liquids

Nematicity in quantum Hall systems has been experimentally well established at excited Landau levels. The mechanism of the symmetry breaking, however, is still unknown. Pomeranchuk instability of Fermi liquid parameter F ℓ ≤ –1 in the angular momentum ℓ = 2 channel has been argued to be the relevant mechanism, yet there are no definitive theoretical proofs. Here we calculate, using the variational Monte Carlo technique, Fermi liquid parameters F ℓ of the composite fermion Fermi liquid with a finite layer width. We consider F ℓ in different Landau levels n = 0, 1, 2 as a function of layer width parameter η. We find that unlike the lowest Landau level, which shows no sign of Pomeranchuk instability, higher Landau levels show nematic instability below critical values of η. Furthermore, the critical value η c is higher for the n = 2 Landau level, which is consistent with observation of nematic order in ambient conditions only in the n = 2 Landau levels. As a result, the picture emerging from our work is that approaching the true 2D limit brings half-filled higher Landau-level systems to the brink of nematic Pomeranchuk instability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Multicomponent superconducting order parameter in UTe 2

An unconventional superconducting state was recently discovered in uranium ditelluride (UTe 2 ), in which spin-triplet superconductivity emerges from the paramagnetic normal state of a heavy-fermion material. The coexistence of magnetic fluctuations and superconductivity, together with the crystal structure of this material, suggests that a distinctive set of symmetries, magnetic properties, and topology underlie the superconducting state. Here, we report observations of a nonzero polar Kerr effect and of two transitions in the specific heat upon entering the superconducting state, which together suggest that the superconductivity in UTe 2 is characterized by a two-component order parameter that breaks time-reversal symmetry. These data place constraints on the symmetries of the order parameter and inform the discussion on the presence of topological superconductivity in UTe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

A Triplet Resonance in Superconducting Fe 1.03 Se 0.4 Te 0.6

From heavy fermion compounds and cuprates to iron pnictides and chalcogenides, a spin resonance at $\hbar$Ω0 ∝ k B T c is a staple of nearly magnetic superconductors. Possible explanations include a two-particle bound state or loss of magnon damping in the superconducting state. While both scenarios suggest a central role for magnetic fluctuations, distinguishing them is important to identify the right theoretical framework to understand these types of unconventional superconductors. Using an inelastic neutron scattering technique, we show that the spin resonance in the optimally doped Fe 1.03 Se 0.4 Te 0.6 superconductor splits into three peaks in a high magnetic field, a signature of a two-particle S = 1 triplet bound state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Pseudo Dirac nodal sphere semimetal

Topological semimetals (TSMs) in which conduction and valence bands cross at zero-dimensional (0D) Dirac nodal points (DNPs) or 1D Dirac nodal lines (DNLs), in 3D momentum space, have recently drawn much attention due to their exotic electronic properties. Here, we generalize the TSM state further to a higher-dimensional Dirac nodal sphere (DNS) or pseudo DNS (PDNS) state, with the band crossings forming a 2D closed or approximate sphere at the Fermi level. This TSM state can exhibit unique electronic properties, making DNS/PDNS a type of fermion beyond the DNP/DNL paradigm. In realistic crystals, we demonstrate two possible types of PDNS states underlain by different crystalline symmetries, which are characterized with a spherical backbone consisting of multiple DNLs and approximate band degeneracy in between the DNLs. Here, we identify all the possible band crossings with pairs of 1D irreducible representations to form the PDNS states in 32 point groups. Importantly, we discover that strained MH 3 ( M = Y , Ho, Tb, Nd) and Si 3 N 2 are material candidates to realize these two types of PDNS states, respectively. As a high-symmetry-required state, the PDNS semimetal can be regarded as the “parent phase” for other topological gapped and gapless states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Superconductivity at an antiferromagnetic quantum critical point: Role of energy fluctuations

Motivated by recent experiments reporting superconductivity only at very low temperature in a class of heavy fermion compounds, we study the impact of energy fluctuations with small momentum transfer on the pairing instability near an antiferromagnetic quantum critical point. While these fluctuations, formed by composite spin fluctuations, were proposed to explain the thermodynamic and transport properties near the quantum critical point of compounds such as YbRh 2 Si 2 and CeCu 6–x Au x at x ≈ 0.1, here they are found to strongly suppress T c of the d-wave pairing of the hot quasiparticles promoted by the spin fluctuations. Interestingly, if energy fluctuations are strong enough, they can induce triplet pairing involving the quasiparticles of the cold regions of the Fermi surface. Altogether, the opposing effects of energy and spin fluctuations lead to a suppression of T c .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Spin-orbit density wave induced hidden topological order in URu2Si2

The conventional order parameters in quantum matters are often characterized by ‘spontaneous’ broken symmetries. However, sometimes the broken symmetries may blend with the invariant symmetries to lead to mysterious emergent phases. The heavy fermion metal URu2Si2 is one such example, where the order parameter responsible for a second-order phase transition at Th517.5 K has remained a long-standing mystery. Here we propose via ab-initio calculation and effective model that a novel spin-orbit density wave in the f-states is responsible for the hidden-order phase in URu2Si2. The staggered spin-orbit order spontaneously breaks rotational, and translational symmetries while time-reversal symmetry remains intact. Thus it is immune to pressure, but can be destroyed by magnetic field even at T 5 0 K, that means at a quantum critical point. We compute topological index of the order parameter to show that the hidden order is topologically invariant. Finally, some verifiable predictions are presented.

MATERIALS PHYSICS↗
DOE OSTI2020

Precise Experimental Test of the Luttinger Theorem and Particle-Hole Symmetry for a Strongly Correlated Fermionic System

A fundamental concept in physics is the Fermi surface, the constant-energy surface in momentum space encompassing all the occupied quantum states at absolute zero temperature. In 1960, Luttinger postulated that the area enclosed by the Fermi surface should remain unaffected even when electron-electron interaction is turned on, so long as the interaction does not cause a phase transition. Understanding what determines the Fermi surface size is a crucial and yet unsolved problem in strongly interacting systems such as high-$T_c$ superconductors. Here we present a precise test of the Luttinger theorem for a two-dimensional Fermi liquid system where the exotic quasiparticles themselves emerge from the strong interaction, namely, for the Fermi sea of composite fermions (CFs). Via direct, geometric resonance measurements of the CFs’ Fermi wave vector down to very low electron densities, we show that the Luttinger theorem is obeyed over a significant range of interaction strengths, in the sense that the Fermi sea area is determined by the density of the minority carriers in the lowest Landau level. Our data in this work also address the ongoing debates on whether or not CFs obey particle-hole symmetry, and if they are Dirac particles. We find that particle-hole symmetry is obeyed, but the measured Fermi sea area differs quantitatively from that predicted by the Dirac model for CFs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Detecting Multipartite Entanglement Patterns Using Single-Particle Green’s Functions

Here, we present a protocol for detecting multipartite entanglement in itinerant many-body electronic systems using single-particle Green’s functions. To achieve this, we first establish a connection between the quantum Fisher information and single-particle Green’s functions by constructing a set of witness operators built out of single electron creation and destruction operators in a doubled system. This set of witness operators is indexed by a momentum k. We compute the quantum Fisher information for these witness operators and show that for thermal ensembles it can be expressed as an autoconvolution of the single-particle spectral function. We then apply our framework to a one-dimensional fermionic system to showcase its effectiveness in detecting entanglement in itinerant electron models. We observe that the detected entanglement level is sensitive to the wave vector associated with witness operator. Our protocol will permit detecting entanglement in many-body systems using scanning tunneling microscopy and angle-resolved photoemission spectroscopy, two spectroscopies that measure the single-particle Green’s function. It offers the prospect of the experimental detection of entanglement through spectroscopies beyond the established route of measuring the dynamical spin response.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Graphene-based analog of single-slit electron diffraction

In this study, we report on the experimental demonstration of single-slit diffraction exhibited by electrons propagating in encapsulated graphene with an effective de Broglie wavelength corresponding to their attributes as massless Dirac fermions. Nanometer-scale device designs were implemented to fabricate a single-slit followed by five detector paths. Predictive calculations were also utilized to readily understand the observations reported. These calculations required the modeling of wave propagation in ideal case scenarios of the reported device designs to more accurately describe the observed single-slit phenomenon. This experiment was performed at room temperature and 190 K, where data from the latter highlighted the exaggerated asymmetry between electrons and holes, recently ascribed to slightly different Fermi velocities near the K point. This observation and device concept may be used for building diffraction switches with versatile applicability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Disentangling the physics of the attractive Hubbard model as a fully interacting model of fermions via the accessible and symmetry-resolved entanglement entropies

The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information science has demonstrated that more global diagnostics of quantum states like the entanglement entropy can provide a complementary and clarifying lens on electronic behavior. One particularly useful measure that can be used to distinguish between quantum and classical sources of entanglement is the accessible entanglement, the entanglement available as a quantum resource for systems subject to conservation laws, such as fixed particle number, due to superselection rules. In this work, we introduce an algorithm and demonstrate how to compute accessible and symmetry-resolved entanglements for interacting fermion systems. This is accomplished by combining an incremental version of the swap algorithm with a recursive auxiliary field quantum Monte Carlo algorithm recently developed by the authors. We apply these tools to study the pairing and charge density waves exhibited in the paradigmatic attractive Hubbard model via entanglement. We find that the particle and spin symmetry-resolved entanglements and their related full probability distribution functions show very clear—and unique—signatures of the underlying electronic behavior even when those features are less pronounced in conventional correlation functions. Altogether, this work provides a systematic means of characterizing the entanglement within quantum systems that can grant a deeper understanding of the complicated electronic behavior that underlies quantum phase transitions and crossovers in many-body systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Fractional quantum Hall systems near nematicity: Bimetric theory, composite fermions, and Dirac brackets

Here, we perform a detailed comparison of the Dirac composite fermion and the recently proposed bimetric theory for a quantum Hall Jain states near half filling. By tuning the composite Fermi liquid to the vicinity of a nematic phase transition, we discover that the two theories are equivalent to each other. We verify that the single mode approximation for the response functions and the static structure factor becomes reliable near the phase transition. We show that the dispersion relation of the nematic mode near the phase transition can be obtained from the Dirac brackets between the components of the nematic order parameter. The dispersion is quadratic at low momenta and has a magnetoroton minimum at a finite momentum, which is not related to any nearby inhomogeneous phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗