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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Topologically Protected Flatness in Chiral Moiré Heterostructures

The observation of delicate correlated phases in twisted heterostructures of graphene and transition metal dichalcogenides suggests that moiré flat bands are intrinsically resilient against certain types of disorder. Here, we investigate the robustness of moiré flat bands in the chiral limit of the Bistritzer-MacDonald model—applicable to both platforms in certain limits—and demonstrate drastic differences between the first magic angle and higher magic angles in response to chiral symmetric disorder that arise, for instance, from lattice relaxation. We understand these differences using a hidden constant of motion that permits the decomposition of the non-Abelian gauge field induced by interlayer tunnelings into two decoupled Abelian ones. At all magic angles, the resulting effective magnetic field splits into an anomalous contribution and a fluctuating part. The anomalous field maps the moiré flat bands onto a zeroth Dirac Landau level, whose flatness withstands any chiral symmetric perturbation such as nonuniform magnetic fields due to a topological index theorem—thereby underscoring a topological mechanism for band flatness. Only the first magic angle can fully harness this topological protection due to its weak fluctuating magnetic field. In higher magic angles, the amplitude of fluctuations largely exceeds the anomalous contribution, which we find results in a physically meaningless chiral operator and an extremely large sensitivity to microscopic details and an exponential collapse of the single-particle gap. Through numerical simulations, we further study various types of disorder and identify the scattering processes that are enhanced or suppressed in the chiral limit. Interestingly, we find that the topological suppression of disorder broadening persists away from the chiral limit and is further accentuated by isolating a single sublattice polarized flat band in energy. Our analysis suggests the Berry curvature hot spot at the top of the K and K ′ valence band in the transition metal dichalcogenide monolayers is essential for the stability of its moiré flat bands and their correlated states. Published by the American Physical Society 2025

Crépel, Valentin (ORCID:0000000302403412)↗
DOE OSTI2021

Weyl, Dirac and high-fold chiral fermions in topological quantum matter

Quantum materials hosting Weyl fermions have opened a new era of research in condensed matter physics. First proposed in 1929 in the context of particle physics, Weyl fermions have yet to be observed as elementary particles. In 2015, Weyl fermions were detected as collective electronic excitations in the strong spin–orbit coupled material tantalum arsenide, TaAs. This discovery was followed by a flurry of experimental and theoretical explorations of Weyl phenomena in materials. Weyl materials naturally lend themselves to the exploration of the topological index associated with Weyl fermions and their divergent Berry curvature field, as well as the topological bulk–boundary correspondence, giving rise to protected conducting surface states. Here, we review the broader class of Weyl topological phenomena in materials, starting with the observation of emergent Weyl fermions in the bulk and Fermi arc states on the surface of the TaAs family of crystals by photoemission spectroscopy. We then discuss several exotic optical and magnetic responses observed in these materials, as well as progress in developing related chiral materials. We discuss the conceptual development of high-fold chiral fermions, which generalize Weyl fermions, and we review the observation of high-fold chiral fermion phases by taking the rhodium silicide, RhSi, family of crystals as a prime example. Lastly, we discuss recent advances in Weyl line phases in magnetic topological materials. With this Review, we aim to provide an introduction to the basic concepts underlying Weyl physics in condensed matter, and to representative materials and their electronic structures and topology as revealed by spectroscopic studies. Finally, we hope this work serves as a guide for future theoretical and experimental explorations of chiral fermions and related topological quantum systems with potentially enhanced functionalities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Topology-Bounded Superfluid Weight in Twisted Bilayer Graphene

While regular flat bands are good for enhancing the density of states and hence the gap, they are detrimental to the superfluid weight. We show that the predicted nontrivial topology of the two lowest flat bands of twisted bilayer graphene (TBLG) plays an important role in the enhancement of the superfluid weight and hence of superconductivity. We derive the superfluid weight (phase stiffness) of the TBLG superconducting flat bands with a uniform pairing, and show that it can be expressed as an integral of the Fubini-Study metric of the flat bands. This mirrors results already obtained for nonzero Chern number bands even though the TBLG flat bands have zero Chern number. We further show that the metric integral is lower bounded by the topological $C_{2z}T$ Wilson loop winding number of TBLG flat bands, which renders that the superfluid weight is also bounded by this topological index. In contrast, trivial flat bands have a zero superfluid weight. The superfluid weight is crucial in determining the Berezinskii-Kosterlitz-Thouless transition temperature of the superconductor. Based on the transition temperature measured in TBLG experiments, we estimate the topological contribution of the superfluid weight in TBLG.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Logarithmic corrections to the entropy of rotating black holes and black strings in AdS 5

We investigate logarithmic corrections to the entropy of supersymmetric, rotating, asymptotically AdS 5 black holes and black strings. Within the framework of the AdS/CFT correspondence, the entropy of these black objects is determined, on the field theory side, by the superconformal index and the refined topologically twisted index of $\mathcal{N}$ = 4 supersymmetric Yang-Mills theory, respectively. We read off the logarithmic correction from those field-theoretic partition functions. On the gravity side, we take the near-horizon limit and apply the Kerr/CFT correspondence whose associated charged Cardy formula describes the degeneracy of states at subleading order and determines the logarithmic correction to the entropy. We find perfect agreement between these two approaches. Our results provide a window into precision microstate counting and demonstrate the efficacy of low-energy, symmetry-based approaches such as the Kerr/CFT correspondence for asymptotically AdS black objects under certain conditions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Low Index Contrast Valley Hall Topological Photonics for Robust Transport in the Visible Spectrum

We report topological photonics is an emerging platform to study light-matter interactions with promising features such as robust edge state transmission that could be advantageous for quantum information applications. However, applying common topological photonic designs for visible wavelength light-matter interactions is challenging because materials compatible with the visible spectrum have lower refractive index contrasts. We design and demonstrate a novel valley Hall topological photonic crystal that can support a complete topological band gap in the visible spectrum. We also show an overetch procedure can be used to reduce the leakage loss common for low index contrast materials. To demonstrate these advantages, we fabricate topological photonic devices following these design principles and show that edge states at energies in the complete band gap have robust transmission around sharp corners. The compatibility of this photonic structure with straightforward fabrication methods will facilitate the study of interactions between topologically nontrivial photons and nanomaterials active in the visible spectrum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Topological modes and spectral flows in inhomogeneous PT-symmetric continuous media

In classical Hermitian continuous media, the spectral-flow index of topological modes is linked to the bulk topology via index theorem. However, the interface between two bulks is usually non-Hermitian due to the inhomogeneities of system parameters. We show that the connection between topological modes and bulk topology still exists despite the non-Hermiticity at the interface if the system is endowed with PT symmetry. The theoretical framework developed is applied to the Hall magnetohydrodynamic model to identify a topological mode called topological Alfvén sound wave in magnetized plasmas. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

BPS spectra and 3-manifold invariants

We provide a physical definition of new homological invariants H a (M 3 ) of 3-manifolds (possibly, with knots) labeled by abelian flat connections. The physical system in question involves a 6d fivebrane theory on M 3 times a 2-disk, D 2 , whose Hilbert space of BPS states plays the role of a basic building block in categorification of various partition functions of 3d N = 2 theory T[M 3 ]: D 2 × S 1 half-index, S 2 × S 1 superconformal index, and S 2 × S 1 topologically twisted index. The first partition function is labeled by a choice of boundary condition and provides a refinement of Chern–Simons (WRT) invariant. A linear combination of them in the unrefined limit gives the analytically continued WRT invariant of M 3 . The last two can be factorized into the product of half-indices. Here, we show how this works explicitly for many examples, including Lens spaces, circle fibrations over Riemann surfaces, and plumbed 3-manifolds.

3-manifold↗
DOE OSTI2022

Index Theorems, Generalized Hall Currents, and Topology for Gapless Defect Fermions

In this work, we show how the index of the fermion operator from the Euclidean action can be used to uncover the existence of gapless modes living on defects (such as edges and vortices) in topological insulators and superconductors. The 1-loop Feynman diagram that computes the index reveals an analog of the quantum Hall current flowing on and off the defect—even in systems without conserved currents or chiral anomalies—and makes explicit the interplay between topology in momentum and coordinate space. We provide several explicit examples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Rotating black hole entropy from M5-branes

We compute the superconformal index of 3d N = 2 superconformal field theories obtained from N M5-branes wrapped on a hyperbolic 3-manifold. Exploiting the 3d-3d correspondence, we use perturbative invariants of SL(N, C) Chern-Simons theory to determine the superconformal index in the large N limit, including corrections logarithmic in N. The leading order partition function provides a microscopic foundation for the entropy function of the dual rotating asymptotically AdS 4 black holes. We also verify that the supergravity one-loop contribution to the log N term coincides with the field theoretic result. We propose a 3d-3d formulation for the refined topologically twisted index, and provide strong evidence in support of its vanishing — which agrees with the fact that the expected dual rotating magnetically-charged black hole does not exist. This provides an interesting link between gravity and a tantalizing mathematical result.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A topological approach to magnetic nulls

Magnetic nulls are locations where the magnetic field vanishes. They determine to a large degree the magnetic connectivity in a system, and are sites of magnetic reconnection. We describe a novel approach to understanding movement, appearance, and disappearance of nulls in magnetic fields. This approach is based on the concept of isotropes, or lines where the field direction is constant. These lines are streamlines of a vector field whose flux is sourced by the topological indices of nulls, and can be conceptualized as corresponding to ‘lines of force’ between nulls. We show how this topological approach can be used to generate analytical expressions for the location of nulls in the presence of external fields for dipoles and for a field defined by the Hopf fibration.

magnetic null↗
DOE OSTI2022

Structural Amorphization-Induced Topological Order

Electronic properties of crystals are inherently pertained to crystalline symmetry, so that amorphization that lowers and breaks symmetry is detrimental. One important crystalline property is electron band topology which is known to be weakened and destroyed by structural disorder. Here, we report a counterintuitive theoretical discovery that atomic structural disorder by amorphization can in fact induce electronic order of topology in an otherwise topologically trivial crystal. The resulting nontrivial topology is characterized by a nonzero spin Bott index, associated with robust topological edge states and quantized conductance. Further, the underlying topological phase transition (TPT) from a trivial crystal to a topological amorphous is analyzed by mapping out a phase diagram in the degree of structural disorder using an effective medium theory. The atomic disorder is revealed to induce topological order by renormalizing the spectral gap toward nontriviality near the phase boundary. As a concrete example, we further show such TPT in amorphous stanane by first-principles calculations. Our findings point to possible observation of an electronic ordering transition accompanied by a structural disorder transition.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Aperiodic topological crystalline insulators

Topological crystalline insulators (TCIs) are normally described with topological protection imposed by the crystalline symmetry. In general, yet, the existence of TCI states does not necessitate the periodicity of crystals as long as an essential lattice symmetry can be identified. Here we demonstrate the compatibility of TCIs with aperiodic systems, as exemplified by an octagonal quasicrystal. The aperiodic TCIs we proposed are attributed to a band inversion mechanism, which inverts states with the same parity but opposite eigenvalues of a specific symmetry (such as mirror reflection). The nontrivial topology is characterized by a nonzero integer "mirror Bott index". Furthermore, we demonstrate that the topological edge states and quantized conductance of the aperiodic TCI, which are robust against disorder, can be effectively manipulated by external electric fields. Our findings not only provide a better understanding of electronic topology in relation to symmetry but also extend the experimental realization of topological states to much broader material categories beyond crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Higher-order topological and nodal superconducting transition-metal sulfides M S ( M = Nb and Ta )

Intrinsic topological superconducting materials are exotic and vital to develop the next-generation topological superconducting devices, topological quantum calculations, and quantum information technologies. Here, we predict the topological and nodal superconductivity of NiAs-type M ⁢S ( M = Nb and Ta) transition-metal sulfides. We reveal their higher-order topology nature with an index of Z 4 = 2. These materials have a higher T c than the Nb or Ta metal superconductors due to their flat band and strong electron-phonon coupling nature. Electron doping and lighter isotopes can effectively enhance the T c . In conclusion, our findings show that the M ⁢S ( M = Nb and Ta) systems can be platforms to study exotic physics in the higher-order topological superconductors, and provide a theoretical support to utilize them as the topological superconducting devices in the field of advanced topological quantum calculations and information technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Evolution from topological Dirac metal to flat-band-induced antiferromagnet in layered K x Ni 4 S 2 (0 ≤ x ≤ 1)

Condensed matter systems with coexisting Dirac cones and flat bands and a switchable control between them within a single system are desirable but remarkably uncommon. Here, we report a layered quantum material system, K x Ni 4 S 2 (0 <= x <= 1), that simultaneously hosts both characteristics without involving typical Kagome/honeycomb lattices. Enabled by a topochemical K-deintercalation process, the Fermi surface can be fine-tuned continuously over a wide range of energies. Consequently, a non-magnetic Dirac-metal state with a topological nontrivial Z 2 index of 1;(000), supported by first-principles calculations and high mobility up to 1,471 cm 2 V -1 s -1 , is observed on the K-rich x = 1 side, whereas a flat-band-induced antiferromagnetic state with T N up to 10.1 K emerges as the K-content approaches 0. The K x Ni 4 S 2 system offers a versatile platform for exploring emerging phenomena and underscores aviable pathway for in situ control of quantum materials dominated by Dirac cones, flat bands, and their interplay.

dirac metal↗
DOE OSTI2023

Spectral localizer for line-gapped non-Hermitian systems

Short-ranged and line-gapped non-Hermitian Hamiltonians have strong topological invariants given by an index of an associated Fredholm operator. It is shown how these invariants can be accessed via the signature of a suitable spectral localizer. Here, this numerical technique is implemented in an example with relevance to the design of topological photonic systems, such as topological lasers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dimensionality-Induced Change in Topological Order in Multiferroic Oxide Superlattices

We construct ferroelectric (LuFeO 3 ) m /(LuFe 2 O 4 ) superlattices with varying index m to study the effect of confinement on topological defects. We observe a thickness-dependent transition from neutral to charged domain walls and the emergence of fractional vortices. In thin LuFeO 3 layers, the volume fraction of domain walls grows, lowering the symmetry from P6 3 cm to P3c1 before reaching the nonpolar P6 3 /mmc state, analogous to the group-subgroup sequence observed at the high-temperature ferroelectric to paraelectric transition. Our study shows how dimensional confinement stabilizes textures beyond those in bulk ferroelectric systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Look Inside the Black Box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clusters

A Continuous Filter Convolutional Neural Network (CF-CNN) was trained to predict the potential energy of water cluster networks \ce{(H2O)_{\textit{N}}}, \textit{N}=10--30, corresponding to local minima lying within 5 kcal/mol from the putative minima taken from a newly published database containing over 5 million unique networks. The chemical sampling space of the database was characterized using chemical descriptors derived from graph theory, which led to the identification of important trends in the topology, connectivity, polygon structures associated with the various networks as a function of cluster size. The resulting graphs are available alongside the original database at \url{https://sites.uw.edu/wdbase/}. The CF-CNN trained on a subset of 500,000 networks for (\textit{N}=10, 30) yielded a mean absolute error of 0.002$\pm$0.002 kcal/mol per water molecule, giving the trained CF-CNN the highest accuracy of any neural network-based surrogate model to date. In addition, clusters of sizes not included in the training set exhibited errors of the same magnitude, indicating that the CF-CNN ptotocol is general enough to accurately predict energies of networks for both smaller and larger sizes than those used during training. The graph-theoretical descriptors were developed in order to analyze the properties of the full database and interpret the predictive power of the CF-CNN. Using topology measures, such as the Wiener index and the average shortest path length along with two similarity measures, we showed that all networks from the test set were within the range of the ones from the training set, suggesting that the training set covered the chemical space of interest quite well. Our graph analysis suggests that the mean degree and number of polygons for networks with larger errors tend to lie further from the mean than those with lower errors. The generality of the used CF-CNN was thus demonstrated, while the use of the graph-theoretical descriptors assisted in interpreting the predicted results.

Bilbrey, Jenna A.↗