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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Nature of the Correlated Insulator States in Twisted Bilayer Graphene

We use self-consistent Hartree-Fock calculations performed in the full $\pi$-band Hilbert space to assess the nature of the recently discovered correlated insulator states in magic-angle twisted bilayer graphene (TBG). In this work, we find that gaps between the flat conduction and valence bands open at neutrality over a wide range of twist angles, sometimes without breaking the system’s valley projected $\mathcal{C}_2\mathcal{T}$ symmetry. Broken spin-valley flavor symmetries then enable gapped states to form not only at neutrality, but also at total moiré band filling $\textit{n}$ = ± $\textit{p}/4$ with integer $\textit{p}$ = 1, 2, 3, when the twist angle is close to the magic value at which the flat bands are most narrow. Because the magic-angle flat band quasiparticles are isolated from remote band quasiparticles only for effective dielectric constants larger than ~20, the gapped states do not necessarily break $\mathcal{C}_2\mathcal{T}$ symmetry and as a consequence the insulating states at $\textit{n}$ = ± 1/ 4 and $\textit{n}$ = ± 3/4 need not exhibit a quantized anomalous Hall effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Local Berry Phase Signatures of Bilayer Graphene in Intervalley Quantum Interference

Chiral quasiparticles in Bernal-stacked bilayer graphene have valley-contrasting Berry phases of ±2π. This nontrivial topological structure, associated with the pseudospin winding along a closed Fermi surface, is responsible for various novel electronic properties. In this work, we show that the quantum interference due to intervalley scattering induced by single-atom vacancies or impurities provides insights into the topological nature of the bilayer graphene. The scattered chiral quasiparticles between distinct valleys with opposite chirality undergo a rotation of pseudospin that results in the Friedel oscillation with wavefront dislocations. The number of dislocations reflects the information about pseudospin texture and hence can be used to measure the Berry phase. As demonstrated both experimentally and theoretically, the Friedel oscillation, depending on the single-atom vacancy or impurity at different sublattices, can exhibit N = 4, 2, or 0 additional wavefronts, characterizing the 2π Berry phase of the bilayer graphene. Our results provide a comprehensive study of the intervalley quantum interference in bilayer graphene and can be extended to multilayer graphene, shedding light on the pseudospin physics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Anderson Localization in the Fractional Quantum Hall Effect

The interplay between interaction and disorder-induced localization is of fundamental interest. This article addresses localization physics in the fractional quantum Hall state, where both interaction and disorder have nonperturbative consequences. We provide compelling theoretical evidence that the localization of a single quasiparticle of the fractional quantum Hall state at filling factor ν=n/(2n+1) has a striking quantitative correspondence to the localization of a single electron in the (n+1)th Landau level. By analogy to the dramatic experimental manifestations of Anderson localization in integer quantum Hall effect, this leads to predictions in the fractional quantum Hall regime regarding the existence of extended states at a critical energy, and the nature of the divergence of the localization length as this energy is approached. Within a mean field approximation, these results can be extended to situations where a finite density of quasiparticles is present.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Quantum Computing with Majorana Kramers Pairs

Here, we propose a universal gate set acting on a qubit formed by the degenerate ground states of a Coulomb-blockaded time-reversal invariant topological superconductor island with spatially separated Majorana Kramers pairs: the “Majorana Kramers qubit.” All gate operations are implemented by coupling the Majorana Kramers pairs to conventional superconducting leads. Interestingly, in such an all-superconducting device, the energy gap of the leads provides another layer of protection from quasiparticle poisoning independent of the island charging energy. Moreover, the absence of strong magnetic fields—which typically reduce the superconducting gap size of the island—suggests a unique robustness of our qubit to quasiparticle poisoning due to thermal excitations. Consequently, the Majorana Kramers qubit should benefit from prolonged coherence times and may provide an alternative route to a Majorana-based quantum computer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Fredkin Staircase: An Integrable System with a Finite-Frequency Drude Peak

We introduce and explore an interacting integrable cellular automaton, the Fredkin staircase, that lies outside the existing classification of such automata, and has a structure that seems to lie beyond that of any existing Bethe-solvable model. The Fredkin staircase has two families of ballistically propagating quasiparticles, each with infinitely many species. Despite the presence of ballistic quasiparticles, charge transport is diffusive in the d.c. limit, albeit with a highly non- gaussian dynamic structure factor. Remarkably, this model exhibits persistent temporal oscillations of the current, leading to a delta-function singularity (Drude peak) in the a.c. conductivity at nonzero frequency. Here, we analytically construct an extensive set of operators that anticommute with the time-evolution operator; the existence of these operators both demonstrates the integrability of the model and allows us to lower-bound the weight of this finite-frequency singularity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Energy Gap of the Even-Denominator Fractional Quantum Hall State in Bilayer Graphene

Bernal bilayer graphene hosts even-denominator fractional quantum Hall states thought to be described by a Pfaffian wave function with non-Abelian quasiparticle excitations. Here, in this study, we report the quantitative determination of fractional quantum Hall energy gaps in bilayer graphene using both thermally activated transport and by direct measurement of the chemical potential. We find a transport activation gap of 5.1 K at B = 12 T for a half filled N = 1 Landau level, consistent with density matrix renormalization group calculations for the Pfaffian state. However, the measured thermodynamic gap of 11.6 K is smaller than theoretical expectations for the clean limit by approximately a factor of 2. We analyze the chemical potential data near fractional filling within a simplified model of a Wigner crystal of fractional quasiparticles with long-wavelength disorder, explaining this discrepancy. Our results quantitatively establish bilayer graphene as a robust platform for probing the non-Abelian anyons expected to arise as the elementary excitations of the even-denominator state.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimally tuned starting point for single-shot GW calculations of solids

The dependence of ab initio many-body perturbation theory within the $\textit{GW}$ approximation on the eigensystem used in calculating quasiparticle corrections limits this method's predictive power. Here, we investigate the accuracy of the recently developed Wannier-localized optimally tuned screened range-separated hybrid (WOT-SRSH) functional as a generalized Kohn-Sham starting point for single-shot $\textit{GW}$ ($G_0W_0$) calculations for a range of semiconductors and insulators. Comparison to calculations based on well-established functionals, namely, PBE, PBE0, and HSE, as well as to self-consistent GW schemes and to experiment, shows that band gaps computed via $G_0W_0$@WOT-SRSH have a level of precision and accuracy that is comparable to that of more advanced methods such as quasiparticle self-consistent $\textit{GW}$ and eigenvalue self-consistent $\textit{GW}$. In this work, we also find that $G_0W_0$@WOT-SRSH improves the description of states deeper in the valence band manifold. Finally, we show that $G_0W_0$@WOT-SRSH significantly reduces the sensitivity of computed band gaps to ambiguities in the underlying WOT-SRSH tuning procedure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mixed excitonic nature in water-oxidized BiVO 4 surfaces with defects

BiVO 4 is a promising photocatalyst for efficient water oxidation, with surface reactivity determined by the structure of active catalytic sites. Surface oxidation in the presence of oxygen vacancies induces electron localization, suggesting an atomistic route to improve the charge transfer efficiency within the catalytic cycle. In this paper, we study the effect of oxygen vacancies on the electronic and optical properties at BiVO 4 surfaces upon water oxidation. We use density functional theory and many-body perturbation theory to explore the change in the electronic and quasiparticle energy levels and to evaluate the electron-hole coupling as a function of the underlying structure. Further we show that while the presence of defects alters the atomic structure and largely modifies the wave-function nature, leading to defect-localized states at the quasiparticle gap region, the optical excitations remain largely unchanged due to the substantial hybridization of defect and nondefect electron-hole transitions. Our findings suggest that defect-induced surface oxidation supports improved electron transport, both through bound and tunable electronic states and via a mixed nature of the optical transitions, expected to reduce electron-hole defect trapping.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Detecting fractionalization in critical spin liquids using color centers

Quantum spin liquids are highly entangled ground states of insulating spin systems, in which magnetic ordering is prevented down to the lowest temperatures due to quantum fluctuations. One of the most extraordinary characteristics of quantum spin liquid phases is their ability to support fractionalized, low-energy quasiparticles known as spinons, which carry spin-1/2 but bear no charge. Relaxometry based on color centers in crystalline materials—of which nitrogen-vacancy (NV) centers in diamond are a well-explored example—provides an exciting new platform to probe the spin spectral functions of magnetic materials with both energy and momentum resolution and to search for signatures of these elusive, fractionalized excitations. In this work, we theoretically investigate the color-center relaxometry of two archetypal quantum spin liquids: the two-dimensional U(1) quantum spin liquid with a spinon Fermi surface and the spin-1/2 antiferromagnetic spin chain. The former is characterized by a metallic, spin-split ground state of mobile, interacting spinons, which closely resembles a spin-polarized Fermi liquid ground state but with neutral quasiparticles. We show that the observation of the Stoner continuum and the collective spin wave mode in the spin spectral function would provide a strong evidence for the existence of spinons and fractionalization. In one dimension, mobile spinons form a Luttinger liquid ground state. We show that the spin spectral function exhibits strong features representing the collective density and spin-wave modes, which are broadened in an algebraic fashion with an exponent characterized by the Luttinger parameter. The possibilities of measuring these collective modes and detecting the power-law decay of the spectral weight using NV relaxometry are discussed. We also examine how the transition rates are modified by marginally irrelevant operators in the Heisenberg limit. Published by the American Physical Society 2024

Takei, So (ORCID:0000000191771895)↗
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)↗
DOE OSTI2024

Shot noise and universal Fano factor as a characterization of strongly correlated metals

Shot noise measures out-of-equilibrium current fluctuations and is a powerful tool to probe the nature of current-carrying excitations in quantum systems. Recent shot-noise measurements in the heavy-fermion strange metal YbRh 2 Si 2 exhibit a strong suppression of the Fano factor ( F )—the ratio of the current noise to the average current in the dc limit. This system is representative of metals in which electron correlations are extremely strong. Here we carry out the first theoretical study on the shot noise of diffusive metals in the regime of strong correlations. A Boltzmann-Langevin equation formulation is constructed in a quasiparticle description in the presence of strong correlations. We find that F = 3 / 4 in such a correlation regime. Thus, we establish the aforementioned Fano factor as universal to Fermi liquids, and we show that the Fano factor suppression observed in experiments on YbRh 2 Si 2 necessitates a loss of the quasiparticles. Our work opens the door to systematic theoretical studies of shot noise as a means of characterizing strongly correlated metallic phases and materials. Published by the American Physical Society 2024

Wang, Yiming (ORCID:0000000277582921)↗
DOE OSTI2023

Quantum Dynamics of Attractive and Repulsive Polarons in a Doped MoSe 2 Monolayer

When mobile impurities are introduced and coupled to a Fermi sea, new quasiparticles known as Fermi polarons are formed. There are two interesting, yet drastically different regimes of the Fermi polaron problem: (i) the attractive polaron (AP) branch connected to pairing phenomena spanning the crossover from BCS superfluidity to the Bose-Einstein condensation of molecules and (ii) the repulsive branch (RP), which underlies the physics responsible for Stoner’s itinerant ferromagnetism. Here, we study Fermi polarons in two-dimensional systems, where many questions and debates regarding their nature persist. The model system we investigate is a doped MoSe2 monolayer. We find the observed AP-RP energy splitting and the quantum dynamics of attractive polarons agree with the predictions of polaron theory. As the doping density increases, the quantum dephasing of the attractive polarons remains constant, indicative of stable quasiparticles, while the repulsive polaron dephasing rate increases nearly quadratically. The dynamics of Fermi polarons are of critical importance for understanding the pairing and magnetic instabilities that lead to the formation of rich quantum phases found in a wide range of physical systems including nuclei, cold atomic gases, and solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Semi-Dirac Fermions in a Topological Metal

Topological semimetals with massless Dirac and Weyl fermions represent the forefront of quantum materials research. In two dimensions, a peculiar class of fermions that are massless in one direction and massive in the perpendicular direction was predicted 16 years ago. These highly exotic quasiparticles—the semi-Dirac fermions—ignited intense theoretical and experimental interest but remain undetected. Using magneto-optical spectroscopy, we demonstrate the defining feature of semi-Dirac fermions— B 2 / 3 scaling of Landau levels—in a prototypical nodal-line metal ZrSiS. In topological metals, including ZrSiS, nodal lines extend the band degeneracies from isolated points to lines, loops, or even chains in the momentum space. With calculations and theoretical modeling, we pinpoint the observed semi-Dirac spectrum to the crossing points of nodal lines in ZrSiS. Crossing nodal lines exhibit a continuum absorption spectrum but with singularities that scale as B 2 / 3 at the crossing. Our work sheds light on the hidden quasiparticles emerging from the intricate topology of crossing nodal lines and highlights the potential to explore quantum geometry with linear optical responses. Published by the American Physical Society 2024

Shao, Yinming (ORCID:0000000228910028)↗
DOE OSTI2022

Sachdev-Ye-Kitaev models and beyond: Window into non-Fermi liquids

In this work is a review of the Sachdev-Ye-Kitaev (SYK) model of compressible quantum many-body systems without quasiparticle excitations, and its connections to various theoretical studies of non-Fermi liquids in condensed matter physics. The review is placed in the context of numerous experimental observations on correlated electron materials. Strong correlations in metals are often associated with their proximity to a Mott transition to an insulator created by the local Coulomb repulsion between the electrons. The phase diagrams of a number of models of such a local electronic correlation are explored, employing a dynamical mean-field theory in the presence of random spin exchange interactions. Numerical analyses and analytical solutions, using renormalization group methods and expansions in large spin degeneracy, lead to critical regions that display SYK physics. The models studied include the single-band Hubbard model, the t–J model, and the two-band Kondo-Heisenberg model in the presence of random spin exchange interactions. Also examined are non-Fermi liquids obtained by considering each SYK model with random four-fermion interactions to be a multiorbital atom, with the SYK atoms arranged in an infinite lattice. Connections are made to theories of sharp Fermi surfaces without any low-energy quasiparticles in the absence of spatial disorder, obtained by coupling a Fermi liquid to a gapless boson; a systematic large-N theory of such a critical Fermi surface, with SYK characteristics, is obtained by averaging over an ensemble of theories with random boson-fermion couplings. Finally, an overview of the links between the SYK model and quantum gravity is presented, and the review ends with an outlook on open questions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Noise Optimization for MKIDs with Different Design Geometries and Material Selections

The separation and optimization of noise components is critical to microwave-kinetic inductance detector (MKID) development. We analyze the effect of several changes to the lumped-element inductor and interdigitated capacitor geometry on the noise performance of a series of MKIDs intended for millimeter-wavelength experiments. We extract the contributions from two-level system noise in the dielectric layer, the generation-recombination noise intrinsic to the superconducting thin-film, and system white noise from each detector noise power spectrum and characterize how these noise components depend on detector geometry, material, and measurement conditions such as driving power and temperature. We observe a reduction in the amplitude of two-level system noise with both an elevated sample temperature and an increased gap between the fingers within the interdigitated capacitors for both aluminum and niobium detectors. We also verify the expected reduction of the generation-recombination noise and associated quasiparticle lifetime with reduced inductor volume. This study also iterates over different materials, including aluminum, niobium, and aluminum manganese, and compares the results with an underlying physical model.

generation-recombination noise↗
DOE OSTI2024

Landau-phonon polaritons in Dirac heterostructures

Polaritons are light-matter quasiparticles that govern the optical response of quantum materials at the nanoscale, enabling on-chip communication and local sensing. Here, we report Landau-phonon polaritons (LPPs) in magnetized charge-neutral graphene encapsulated in hexagonal boron nitride (hBN). These quasiparticles emerge from the interaction of Dirac magnetoexciton modes in graphene with the hyperbolic phonon polariton modes in hBN. Using infrared magneto-nanoscopy, we reveal the ability to completely halt the LPP propagation in real space at quantized magnetic fields, defying the conventional optical selection rules. The LPP-based nanoscopy also tells apart two fundamental many-body phenomena: the Fermi velocity renormalization and field-dependent magnetoexciton binding energies. Our results highlight the potential of magnetically tuned Dirac heterostructures for precise nanoscale control and sensing of light-matter interaction.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Pair wave function symmetry in UTe2 from zero-energy surface state visualization

Although nodal spin-triplet topological superconductivity appears probable in uranium ditelluride (UTe 2 ), its superconductive order parameter Δ k remains unestablished. In theory, a distinctive identifier would be the existence of a superconductive topological surface band, which could facilitate zero-energy Andreev tunneling to an s-wave superconductor and also distinguish a chiral from a nonchiral Δ k through enhanced s-wave proximity. In this study, we used s-wave superconductive scan tips and detected intense zero-energy Andreev conductance at the UTe 2 (0-11) termination surface. Imaging revealed subgap quasiparticle scattering interference signatures with a-axis orientation. The observed zero-energy Andreev peak splitting with enhanced s-wave proximity signifies that Δ k of UTe 2 is a nonchiral state: B 1u , B 2u , or B 3u . However, if the quasiparticle scattering along the a axis is internodal, then a nonchiral B 3u state is the most consistent for UTe 2 .

Gu, Qiangqiang [Cornell Univ., Ithaca, NY (United ↗