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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Electron– K -phonon interaction in twisted bilayer graphene

We develop an analytic theory to describe the interaction between electrons and K phonons and study its influence on superconductivity in the bare bands of twisted bilayer graphene (TBG). We find that, due to symmetry and the two-center approximation, only one optical K phonon (160meV) of graphene is responsible for the intervalley electron-phonon interaction. Here, this phonon has recently been found in angular-resolved photoemission spectroscopy to be responsible for replicas of the TBG flat bands. By projecting the interaction to the TBG flat bands, we perform the full symmetry analysis of the phonon-mediated attractive interaction and pairing channels in the Chern basis, and show that several channels are guaranteed to have gapless order parameters. From the linearized gap equations, we find that the highest T c pairing induced by this phonon is a singlet gapped s-wave inter-Chern-band order parameter, followed closely by a gapless nematic d-wave intra-Chern-band order parameter. We justify these results analytically, using the topological heavy-fermion mapping of TBG which has allowed us to obtain an analytic form of a phonon-mediated attractive interaction and to analytically solve the linearized and T = 0 gap equations. For the intra-Chern-band channel, the nematic state with nodes is shown to be stabilized in the chiral flat-band limit. While the flat-band Coulomb interaction can be screened sufficiently enough—around the Van Hove singularities—to allow for electron-phonon based superconductivity, it is unlikely that this effect can be maintained in the lower density of states excitation bands around the correlated insulator states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Monoatomic orbital-based one-dimensional topological crystalline insulator

The bulk-boundary correspondence in topological crystalline insulators (TCIs) links the topological properties of the bulk to robust observables on the edges, e.g., the existence of robust edge modes or fractional charge. In one dimension, TCIs protected by reflection symmetry have been realized in a variety of systems in which each unit cell has spatially distributed degrees of freedom (SDOF). However, these realizations exhibit sensitivity of the resulting edge modes to variations in edge termination and to the local breaking of the protective spatial symmetries by inhomogeneity. Here we demonstrate topologically protected edge states in a monoatomic, orbital-based TCI that mitigates both of these issues. By collapsing all SDOF within the unit cell to a singular point in space, we eliminate the ambiguity in unit-cell definition and hence remove a prominent source of boundary termination variability. The topological observables are also more tolerant to disorder in the orbital energies. To validate this concept, we experimentally realize a lattice of mechanical resonators where each resonator acts as an “atom” that harbors two key orbital degrees of freedom having opposite reflection parity. Finally, our measurements of this system provide direct visualization of the sp-hybridization between orbital modes that leads to a nontrivial band inversion in the bulk.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Origin of metal-insulator transitions in the parent compounds of ruthenium-pnictide superconductors

Here we study the interplay of the structural phase transition, flat electronic band dispersion, and metal-to-insulator transition (MIT) in the parent compounds of the Ru-pnictide superconductors by using first-principles calculations. Our electron and phonon calculations reveal that Ru(P,As) undergo MIT accompanied by orthorhombic to monoclinic distortion at low temperature, but RuSb stays orthorhombic and metallic in agreement with the experimental findings. It is demonstrated that electronic correlation, as treated in DFT + U, DFT + Gutzwiller, and dynamical mean-field theory (DMFT), cannot induce MIT in the undistorted crystal structure. We find that, although small monoclinic distortion can remove the van Hove singularity at the Fermi level, it does not immediately gap out the Fermi surface and a large value of monoclinic distortion is necessary for a clear MIT, suggesting the possibility of an intermediate pseudogapped monoclinic metallic phase. Furthermore, we predict a light-induced two-step insulator-to-metal and structural transitions in the monoclinic phases of RuP and RuAs, which can be tested in future ultrafast pump-probe experiments as an alternative ideal playground to VO 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Electronic structure of the kagome metal YbTi 3 Bi 4 studied using torque magnetometry

This study investigates the electronic structure of the kagome metal YbTi 3 ⁢Bi 4 using high-field torque magnetometry. The torque signal measured at a maximum field of 41.5 T reveals clear de Haas–van Alphen (dHvA) oscillations with a major frequency peak at F δ ~ 130 T. By rotating the sample at various tilt angles Θ, we observed that F δ exhibits a nearly 1/cos⁡Θ dependence, indicating the presence of a quasi-two-dimensional (2D) Fermi surface (FS) in YbTi 3 ⁢Bi 4 . This argument is further supported by the detection of a forward-leaning, sawtoothlike waveform in the dHvA effect, a hallmark of 2D FS characteristics. Notably, we identified two high-frequency peaks near F χ ~ 1900 T and F λ ~ 5600 T; however, these peaks quickly disappear at Θ greater than 21°. To better understand experimental observations, we computed the electronic band structure and FS using ab initio density-functional theory (DFT). The electronic bands reveal the presence of several Dirac points, flat bands, and van Hove singularities near the Fermi level. Five bands cross the Fermi level and contribute to the FS of this material. The FS comprises cylindrical sheets, with theoretical frequencies from the FS pockets aligning well with the experimental dHvA frequencies. Several FS parameters characterizing F δ were determined by analyzing the temperature and field dependence of the dHvA oscillations using the Lifshitz-Kosevich theory. Further, the detailed electronic properties presented in this work provide critical insights into the electronic structure of YbTi 3 ⁢Bi 4 and other titanium-based kagome compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Layer-dependent spin-resolved electronic structure of ferromagnetic triple-layered ruthenate Sr4Ru3O10

High-resolution angle- and spin-resolved photoemission spectroscopy (ARPES) of the triple-layered ruthenate Sr4Ru3O10 reveals features of the electronic structure that extend our understanding of the layered strontium ruthenates. The spectra near the Fermi energy are very different from the nonmagnetic analogues Sr2RuO4 and Sr3Ru2O7 with distinct Fermi surfaces for wide electronlike minority spin bands around the zone center and narrow holelike majority spin Fermi surface contours around the zone corners. The most dramatic results are two narrow spectral peaks ∼30 meV below the Fermi level, a spin-minority holelike band at the Brillouin zone center, and a spin-majority saddle-band van Hove singularity at the zone edge, which exhibits almost 100% spin polarization at low temperature, and a strong temperature dependent coherence-incoherence crossover attributed to Hund metal correlations. Quantitative comparison of the ARPES to spin-polarized density functional theory (DFT) calculations identify the specific antibonding and nonbonding orbital origins of the narrow bands, with a prediction of different spatial localization in the central and outer layers. This is shown to be consistent with experimental ARPES multizone matrix element intensity variations, and implicates outer-layer-specific control of the in-plane metamagnetism. The renormalization of the bands relative to the mean-field DFT, the demonstration of spin-polarized oxygen bands, and of spin-minority and spin-majority band-crossing hybridization provide a more complete picture of the magnetism which displays aspects of both delocalized and local moment behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Electrical transport and torque magnetometry studies of the kagome compound LuV 6 ⁢Sn 6 under high magnetic fields

We present a comprehensive investigation of the kagome metal LuV 6 ⁢Sn 6 through magnetotransport and torque magnetometry studies in magnetic fields up to 41 T and temperatures as low as 0.3 K. Magnetoresistance measurements up to 31 T reveal clear Shubnikov–de Haas (SdH) oscillations with two dominant frequency peaks: 𝐹 𝛼 =12 T and 𝐹 𝛽 =155 T. The Berry phase Φ 𝐁 , calculated from Landau level fan diagrams, indicates a nontrivial topology for both the 𝛼- and 𝛽-orbits. To explore the possibility of higher-frequency signals in LuV 6 ⁢Sn 6 , we employed another technique: torque magnetometry. Torque measured with applied fields up to 41 T reveals clear de Haas–van Alphen (dHvA) oscillations, with frequency signals as high as 10 kT. Angular and temperature-dependent quantum oscillation measurements allowed us to extract the effective mass of charge carriers and map the Fermi surface of LuV 6 ⁢Sn 6 . To complement the experimental findings, we performed electronic band structure and Fermi surface calculations. The electronic bands of LuV 6 ⁢Sn 6 reveal intriguing features, including flat bands, van Hove singularities, and Dirac points near the Fermi level. Two bands cross the Fermi level, contributing a deformed cylindrical shape at the Γ-point and small chainlike Fermi surfaces near the Brillouin zone boundaries. Theoretical quantum oscillation frequencies derived from Fermi surface cross-sectional areas align well with experimental SdH and dHvA results. These combined experimental and theoretical insights provide a deeper understanding of the electronic structure of LuV 6 ⁢Sn 6 and establish the foundation for exploring electronic properties in other vanadium- and titanium-based kagome systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Low-energy edge signatures of the Kitaev spin liquid

Recent experimental work indicates that the Kitaev spin liquid may be realizable close to zero magnetic field in exfoliated 𝛼−RuCl 3 flakes, thus providing a more versatile setting for studying non-Abelian anyons. Here, we propose a robust nanoscale signature of the Kitaev spin liquid that results from its edge states and manifests in the low-energy spin dynamics. In particular, we highlight a singular peak in the dynamical spin structure factor of a zigzag edge whose energy scales linearly with only one component of the magnetic field. This sharp feature in the local spin dynamics directly reflects the bond-directional Kitaev spin interactions and, more generally, the projective symmetries of the Kitaev spin liquid. In conclusion, we demonstrate that our proposed signature survives in the presence of edge disorder as well as non-Kitaev interactions, and provide detailed guidelines for experimentally observing it using inelastic electron tunneling spectroscopy and color-center relaxometry.

Color centers↗
DOE OSTI2021

Restoring broken symmetries for nuclei and reaction fragments

In typical microscopic approaches, particularly when pairing correlations are present, nuclei and nuclear fragments do not have well defined quantum numbers and symmetries should be restored. In this work, I present a formalism for the simultaneous projection of total particle numbers of a nucleus, particle number of reaction fragments, and of the reaction fragment intrinsic spins and of their correlation, and also for their symmetry restored densities and total energies. These formulas for the symmetry restored quantities, are free of any singularities, unlike those in the previously introduced prescriptions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Wave-function-based emulation for nucleon-nucleon scattering in momentum space

Emulators for low-energy nuclear physics can provide fast and accurate predictions of bound-state and scattering observables for applications that require repeated calculations with different parameters, such as Bayesian uncertainty quantification. In this paper, we extend a scattering emulator based on the Kohn variational principle (KVP) to momentum space (including coupled channels) with arbitrary boundary conditions, which enable the mitigation of spurious singularities known as Kohn anomalies. We test it on a modern chiral nucleon-nucleon (N N) interaction, including emulation of the coupled channels. We provide comparisons between a Lippmann-Schwinger equation emulator and our KVP momentum-space emulator for a representative set of neutron-proton (n p) scattering observables, and also introduce a quasi-spline-based approach for the KVP-based emulator. Furthermore, our findings show that while there are some trade-offs between accuracy and speed, all three emulators perform well. Self-contained Jupyter notebooks that generate the results and figures in this paper are publicly available.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Khuri-Treiman equations for 3$π$ decays of particles with spin

Khuri-Treiman equations have proven to be a useful theoretical tool in the analysis of three-body decays, especially into the 3$π$ final state. In this work we present in full detail the necessary generalization of the formalism to study the decays of particles with arbitrary spin, parity, and charge conjugation. To this extent, we find it most convenient to work with helicity amplitudes instead of the so-called invariant amplitudes, especially when dealing with the unitarity relations. The isobar expansions in the three possible ( s-, t-, and u- ) final channels are related with the appropriate crossing matrices. We pay special attention to the kinematical singularities and constraints of the helicity amplitudes, showing that these can be derived by means of the crossing matrix.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

New method for fitting coefficients in standard model effective theory

We present an alternative method for carrying out a principal-component analysis of Wilson coefficients in standard model effective field theory (SMEFT). The method is based on singular-value decomposition (SVD). The SVD method provides information about the sensitivity of experimental observables to physics beyond the standard model that is not accessible in the Fisher-information method. In principle, the SVD method can also have computational advantages over diagonalization of the Fisher information matrix. We demonstrate the SVD method by applying it to the dimension-6 coefficients for the process of top-quark decay to a b quark and a W boson and use this example to illustrate some pitfalls in widely used fitting procedures. We also outline an iterative procedure for applying the SVD method to dimension-8 SMEFT coefficients.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Black hole echoes

In this work, we consider a very simple model for gravitational wave echoes from black hole merger ringdowns which may arise from local Lorentz symmetry violations that modify graviton dispersion relations. If the corrections are sufficiently soft so they do not remove the horizon, the reflection of the infalling waves which trigger the echoes is very weak. As an example, we look at the dispersion relation of a test scalar field corrected by rotonlike operators depending only on spatial momenta, in Gullstrand-Painlevé coordinates. The near-horizon regions of a black hole do become reflective, but only very weakly. The resulting “bounces” of infalling waves can yield repetitive gravity wave emissions but their power is very small. This implies that to see any echoes from black holes we really need an egregious departure from either standard GR or effective field theory, or both. One possibility to realize such strong echoes is the recently proposed classical firewalls which replace black hole horizons with material shells surrounding timelike singularities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Slowly rotating gravastars

We solve Einstein’s equations for slowly rotating gravitational condensate stars (gravastars) up to second order in the rotation by expanding about the spherically symmetric gravastar with de Sitter interior and Schwarzschild exterior matched at their common horizon. Requiring that the perturbations are finite on the null surface reduces the exterior geometry to that of a Kerr black hole, implying that a slowly rotating gravastar cannot be distinguished from a Kerr black hole by any measurement or observation restricted to the macroscopic spacetime exterior to the horizon. Here we determine the interior solution, the surface stress tensor, and the Komar mass and angular momentum localized on the slowly rotating horizon surface. With the interior equation of state fixed at p = –ρ, finite junction conditions on the null horizon surface necessarily lead to an interior solution with a singular core, where the perturbative expansion breaks down. Comparison to other models and implications for more rapidly rotating gravastars are briefly discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Models of ultraheavy dark matter visible to macroscopic mechanical sensing arrays

In recent years, the sensitivity of optomechanical force sensors has improved leading to increased interest in using these devices as particle detectors. In this study we consider scenarios where dark matter with mass close to the Planck scale may be probed by a large array of optomechanical accelerometers. We motivate a macroscopic mechanical search for ultraheavy dark matter, exemplified by the efforts of the Windchime Collaboration, by providing a survey of the model space that would be visible to such a search. We consider two classes of models, one that invokes a new long-range unscreened force and another that is only gravitationally interacting. We identify significant regions of well-motivated, potentially visible parameter space for versatile models such as Q-balls, composite dark matter, relics of gravitational singularities, and gravitationally produced ultraheavy particles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Gravothermal phase transition, black holes and space dimensionality

In the framework of gravothermal evolution of an ideal monatomic fluid, I examine the dynamical instability of the fluid sphere in (N+1) dimensions by exploiting Chandrasekhar’s criterion to each quasi-static equilibrium along the sequence of the evolution. Once the instability is triggered, it would probably collapse into a black hole if no other interaction halts the process. From this viewpoint, the privilege of (3+1)-dimensional spacetime is manifest, as it is the marginal dimensionality in which the ideal monatomic fluid is stable but not too stable. Moreover, it is the unique dimensionality that allows stable hydrostatic equilibrium with positive cosmological constant. While all higher dimensional (N > 3) spheres are genuinely unstable. In contrast, in (2+1)-dimensional spacetime it is too stable either in the context of Newton’s theory of Gravity or Einstein’s General Relativity. It is well-known that the role of negative cosmological constant is crucial to have the Banados-Teitelboim-Zanelli (BTZ) black hole solution and the equilibrium configurations of a fluid disk. Owing to the negativeness of the cosmological constant, there is no unstable configuration for a homogeneous fluid disk to collapse into a naked singularity, which supports the Cosmic Censorship Conjecture. However, BTZ holes of mass M BTZ > 0 could emerge from collapsing fluid disks. The implications of spacetime dimensionality are briefly discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Past-completeness of inflationary spacetimes

Here, we discuss the question of whether or not inflationary spacetimes can be geodesically complete in the infinite past. Geodesic completeness is a necessary condition for averting an initial singularity during eternal inflation. It is frequently argued that cosmological models which are expanding sufficiently fast (having average Hubble expansion rate H avg > 0) must be incomplete in null and timelike past directions. This well-known conjecture relies on specific bounds on the integral of the Hubble parameter over a past- directed timelike or null geodesic. As stated, we show this claim is an open issue. We show that the calculation of H avg yields a continuum of results for a given spacetime predicated upon the underlying topological assumptions. We present an improved definition for H avg and introduce an uncountably infinite cohort of cosmological solutions which are geodesically complete despite having H avg > 0. We discuss a standardized definition for inflationary spacetimes as well as quantum (semiclassical) cosmological concerns over physically reasonable scale factors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Generalized symmetries, gravity, and the swampland

Generalized global symmetries are a common feature of many quantum field theories decoupled from gravity. By contrast, in quantum gravity/the Swampland program, it is widely expected that all global symmetries are either gauged or broken, and this breaking is in turn related to the expected completeness of the spectrum of charged states in quantum gravity. We investigate the fate of such symmetries in the context of 7D and 5D vacua realized by compact Calabi-Yau spaces with localized singularities in M theory. We explicitly show how gravitational backgrounds support additional dynamical degrees of freedom which trivialize (i.e., “break”) the higher symmetries of the local geometric models. Local compatibility conditions across these different sectors lead to gluing conditions for gauging higher-form and (in the 5D case) higher-group symmetries. This also leads to a preferred global structure of the gauge group and higher-form gauge symmetries. In cases based on a genus-one fibered Calabi-Yau space, we also get an F-theory model in one higher dimension with corresponding constraints on the global form of the gauge group. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Asymptotic behavior of the Fourier coefficients and the analytic structure of the QCD equation of state

In this paper we study the universal properties of the baryon chemical potential Fourier coefficients in quantum chromodynamics. We show that by following a well-defined strategy, the Fourier coefficients can be used to locate Yang-Lee edge singularities associated with chiral phase transition (and by extension with the Roberge-Weiss) in the complex chemical potential plane. We comment on the viability of performing this analysis using lattice QCD data. Published by the American Physical Society 2024

Astronomy & Astrophysics↗