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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Symmetry-Protected Moiré Band Engineering and Enhanced Electron–Phonon Coupling in Xe/Bi 2 Se 3 Superlattices: Path to Topological Superconductivity

Observation of superconductivity, magnetism, and correlated insulating phases driven by the moiré potential in twisted graphene bilayer has opened the exciting new field of “twistronics”. Even richer physics is expected if moiré superlattice could be generated on topological insulators; however, until now, experimental studies have been scarce. Here, we demonstrate topological moirés generated by adsorbing a monolayer of noble gas on a topological insulator. By angle-resolved photoemission spectroscopy, we show that the moiré potential replicates the topological surface state and affects it in a way fundamentally different from the trivial states. Replicated Dirac cones generally avoid crossings, except at the time-reversal invariant momenta that remain gapless. This creates van Hove singularities at the moiré Brillouin zone corners, providing the mechanism of enhancing correlations. Indeed, we observe a strong enhancement of the electron–phonon coupling strength that, if properly tuned, might lead to topological superconductivity and Majorana Fermions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Superselection rules, quantum error correction, and quantum chromodynamics

We investigate the relationship between superselection rules and quantum error correcting codes. We demonstrate that the existence of a superselection rule implies the Knill-Laflamme condition in quantum error correction. As an example, we examine the code built from quantum chromodynamics, where the proton and neutron states in the model are explored as different superselection sectors that protect logical information. Finally we comment on topological quantum error correcting codes and supersymmetric quantum field theory within this framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Topological Excitations in Pyrochlore Heterostructures

This research project focuses on developing innovative materials that demonstrate unique quantum properties, specifically within electron systems that exhibit complex interactions, known as "correlated electron systems." Unlike non-correlated materials, finding topological phases (special states of matter with protected properties that make them stable against defects) in these correlated systems is a significant challenge. The project aims to design synthetic templates of two-dimensional "Kagome lattice" structures, made from specific materials called iridates and osmates, to study and control these exotic quantum behaviors. To achieve this, the project employs a cutting-edge spectroscopic tools that allow precise analysis of artificial quantum materials in terms of both energy and momentum while they are being created, using a specialized laser-based process called laser Molecular Beam Epitaxy.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Symmetry-Based Classification of Exact Flat Bands in Single and Bilayer Moiré Systems

Landau levels have been central to the discovery of exotic quantum phases and their unprecedentedly deep roots in geometry and topology. A powerful concept called “vortexability” extends this framework to moiré systems. In this Letter, we show that vortexable systems support not only Landau-level-like flat bands but also entirely new types with distinct topological properties. Notably, while 𝑛𝑏 Landau levels have total Chern number 𝐶 = 𝑛 𝑏 , vortexable moiré systems can host 𝑛 𝑏 flat bands with 𝐶 = 1 ≠ 𝑛 𝑏 . Here, we provide a complete classification of such exact flat bands in single and bilayer systems with Dirac or quadratic band crossings, identifying the symmetry conditions that govern their number and topology. Up to six flat bands can be symmetry protected. We construct explicit wave functions, showing that sublattice-polarized states always sum to Chern number ±1 and satisfy ideal non-Abelian quantum geometry. When the Berry curvature is sharply peaked, we show that a topological heavy-fermion description remains valid—even for bands with high degeneracy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electronic Properties of the Weyl Semimetals Co 2 MnX (X=Si, Ge, Sn)

Using first-principles electronic structure calculations, iwe show that ferromagnetic Heusler compounds Co2MnX (X = Si, Ge, Sn) present nontrivial topological characteristics and belong to the category of Weyl semimetals. These materials exhibit two topologically interesting band crossings near the Fermi level. These band crossings have complex 3D geometries in the Brillouin zone and are characterized by nontrivial topology as Hopf links and chain-like nodal lines that are protected by the perpendicular mirror planes. The spin–orbit interaction split these nodal lines into several 0D Weyl band crossings. Unlike previously known topologically nontrivial Heusler materials, these majority spin band crossings lie in or very near to the bandgap of minority spin bands, potentially facilitating experimental observation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Possible coexistence of magnetism and paramagnetic singularity in lightly Fe-doped WTe 2

Topological semimetals possess nodal or nodal-line phases where conduction and valence bands touch at points or lines in momentum space, respectively. Such band touching is symmetry protected and gives rise to exotic and interesting electronic properties. Coupling topological order with magnetism provides a platform for exploring time-reversal (TR) symmetry breaking topological physics, such as axion electrodynamics, inverse spin-galvanic effect, and the quantized anomalous Hall effect. The Weyl semimetal (WSM) requires breaking either TR symmetry or lattice inversion symmetry (I). By doping inversion-symmetry-broken WSM with magnetic dopants, one can expect to create a WSM with both symmetries breaking simultaneously. Here, structural, electrical, and magnetic properties of Fe x ⁢W 1–x Te 2 (x = 0 and 0.011) are reported. It is revealed that, with a small Fe doping concentration (x = 0.011), a ferromagnetism is induced at low temperature (<10 K). Scanning tunneling microscopy and spectroscopy measurements in Fe 0.011 ⁢W 0.989 ⁢Te 2 further reveal only substitution and no intercalated dopants being observed. The probabilities of the Fe substitutions at the two nonequivalent W sites are quantified with equal probability. The dl/dV point spectra indicates that the Fe substitution in WTe 2 manifests itself as electron doping regardless of doping sites. The results clearly reveal the possible coexistence of magnetism and Weyl points in the lightly Fe doped WTe2 at low temperature. Furthermore, this provides an ideal system for further study on the interplay between the topological Weyl points and the TR symmetry breaking.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Different tertiary interactions create the same important 3D features in a distinct flavivirus xrRNA

During infection by a flavivirus (FV), cells accumulate noncoding subgenomic flavivirus RNAs (sfRNAs) that interfere with several antiviral pathways. These sfRNAs are formed by structured RNA elements in the 3' untranslated region (UTR) of the viral genomic RNA, which block the progression of host cell exoribonucleases that have targeted the viral RNA. Previous work on these exoribonuclease-resistant RNAs (xrRNAs) from mosquito-borne FVs revealed a specific three-dimensional fold with a unique topology in which a ring-like structure protectively encircles the 5' end of the xrRNA. Conserved nucleotides make specific tertiary interactions that support this fold. Examination of more divergent FVs reveals differences in their 3' UTR sequences, raising the question of whether they contain xrRNAs and if so, how they fold. To answer this, we demonstrated the presence of an authentic xrRNA in the 3' UTR of the Tamana bat virus (TABV) and solved its structure by X-ray crystallography. The structure reveals conserved features from previously characterized xrRNAs, but in the TABV version these features are created through a novel set of tertiary interactions not previously seen in xrRNAs. This includes two important A–C interactions, four distinct backbone kinks, several ordered Mg 2+ ions, and a C + –G–C base triple. The discovery that the same overall architecture can be achieved by very different sequences and interactions in distantly related flaviviruses provides insight into the diversity of this type of RNA and will inform searches for undiscovered xrRNAs in viruses and beyond.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Effective Model for Fractional Topological Corner Modes in Quasicrystals

High-order topological insulators (HOTIs), as generalized from topological crystalline insulators, are characterized with lower-dimensional metallic boundary states protected by spatial symmetries of a crystal, whose theoretical framework based on band inversion at special k points cannot be readily extended to quasicrystals because quasicrystals contain rotational symmetries that are not compatible with crystals, and momentum is no longer a good quantum number. In this work, we develop a low-energy effective model underlying HOTI states in 2D quasicrystals for all possible rotational symmetries. By implementing a novel Fourier transform developed recently for quasicrystals and approximating the long-wavelength behavior by their large-scale average, we construct an effective k · p Hamiltonian to capture the band inversion at the center of a pseudo-Brillouin zone. We show that an in-plane Zeeman field can induce mass kinks at the intersection of adjacent edges of a 2D quasicrystal topological insulators and generate corner modes (CMs) with fractional charge, protected by rotational symmetries. Our model predictions are confirmed by numerical tight-binding calculations. Furthermore, when the quasicrystal is proximitized by an s-wave superconductor, Majorana CMs can also be created by tuning the field strength and chemical potential. Our work affords a generic approach to studying the low-energy physics of quasicrystals, in association with topological excitations and fractional statistics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Exotic invertible phases with higher-group symmetries

We investigate a family of invertible phases of matter with higher-dimensional exotic excitations in even spacetime dimensions, which includes and generalizes the Kitaev’s chain in 1+1d. The excitation has \mathbb{Z}_2 ℤ 2 higher-form symmetry that mixes with the spacetime Lorentz symmetry to form a higher group spacetime symmetry. We focus on the invertible exotic loop topological phase in 3+1d. This invertible phase is protected by the \mathbb{Z}_2 ℤ 2 one-form symmetry and the time-reversal symmetry, and has surface thermal Hall conductance not realized in conventional time-reversal symmetric ordinary bosonic systems without local fermion particles and the exotic loops. We describe a UV realization of the invertible exotic loop topological order using the SO(3)_- S O ( 3 ) − gauge theory with unit discrete theta parameter, which enjoys the same spacetime two-group symmetry. We discuss several applications including the analogue of ``fermionization’’ for ordinary bosonic theories with \mathbb{Z}_2 ℤ 2 non-anomalous internal higher-form symmetry and time-reversal symmetry.

Hsin, Po-Shen↗
DOE OSTI2023

Topological electride phase of sodium at high pressures and temperatures

Sodium, a textbook example of a nearly-free-electron metal, exhibits unforeseen pressure-induced behavior including the stabilization of numerous polymorphs—some possessing extremely complex unit cells—as well as a metal-to-insulator transition to the iconic hP4 phase. However, until recently, most of the experimental and theoretical studies on solid sodium have been restricted to the low-temperature regime. In this work, using ab initio evolutionary structure searches coupled with quasiharmonic calculations, we discover seven new phases of sodium that are more stable than the known hP4 phase at pressure-temperature conditions that were recently attained in ramp-compression experiments. From these, our calculations suggest that P6 3 /m Na is the ground state between ≈250 GPa at 710 K and ≈350 GPa at 1900 K. Electronic structure calculations show that this phase is a topological semimetal with a Dirac nodal surface that is protected by a nonsymmorphic symmetry S 2z and an electride owing to its non-nuclear charge localized within one-dimensional honeycomb channels and zero-dimensional cages. Our results highlight the complexity of dense sodium's free-energy landscape and intricate electronic structure that emerges at finite temperatures and conditions where ionic cores overlap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Distribution Grid Modeling Using Smart Meter Data

The knowledge of distribution grid models, including topologies and line impedances, is essential for grid monitoring, control and protection. However, such information is often unavailable, incomplete or outdated. The increasing deployment of smart meters (SMs) provides a unique opportunity to tackle this issue. This paper proposes a two-stage framework for distribution grid modeling using SM data. In the first stage, the network topology is identified by reconstructing a weighted Laplacian matrix of distribution networks. In the second stage, a least absolute deviations (LAD) regression model is developed for estimating line impedance of a single branch based on the nonlinear (inverse) power flow model, wherein a conductor library is leveraged to narrow down the solution space. The LAD regression model is originally a mixed-integer nonlinear program whose continuous relaxation is still non-convex. Furthermore, we specially address its convex relaxation and discuss the exactness. The modified regression model is then embedded within a bottom-up sweep algorithm to achieve the identification across the network in a branch-wise manner. Numerical results on the IEEE 13-bus, 37-bus and 69-bus test feeders validate the effectiveness of the proposed methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Electronic structure in a transition metal dipnictide TaAs 2

Abstract The family of transition-metal dipnictides has been of theoretical and experimental interest because this family hosts topological states and extremely large magnetoresistance (MR). Recently, T a A s 2 , a member of this family, has been predicted to support a topological crystalline insulating state. Here, by using high-resolution angle-resolved photoemission spectroscopy (ARPES), we reveal both closed and open pockets in the metallic Fermi surface (FS) and linearly dispersive bands on the ( 2 ‾ 01 ) surface, along with the presence of extreme MR observed from magneto-transport measurements. A comparison of the ARPES results with first-principles computations shows that the linearly dispersive bands on the measured surface of T a A s 2 are trivial bulk bands. The absence of symmetry-protected surface state on the ( 2 ‾ 01 ) surface indicates its topologically dark nature. The presence of open FS features suggests that the open-orbit fermiology could contribute to the extremely large MR of T a A s 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nodal fermions in the strongly spin-orbit coupled pyrochlore-lattice compound RbBi2

We explore the topological electronic band structure of the pyrochlore lattice in the strong spin-orbit coupling regime. Using angle-resolved photoemission spectroscopy, first-principles calculations, and symmetry analysis, we have investigated the bulk electronic structure of RbBi2, which has a Bi pyrochlore network. We observe the presence of 3D massless Dirac fermions enforced by nonsymmorphic symmetry, as well as a 3D quadratic band crossing protected by cubic crystalline symmetry. Furthermore, we identify an additional 3D linear Dirac dispersion associated with band inversion protected by threefold rotation symmetry. These observations reveal the rich band topology of itinerant pyrochlore lattice systems in the strong SOC limit and serve as a starting point to explore correlated topological phases in geometrically frustrated lattices.

Oh, Dongjin↗
DOE OSTI2021

Laser-Interference Surface Preparation for Enhanced Coating Adhesion and Adhesive Joining of Multi-Materials (Final Project Report)

This report investigates a laser-interference surface treatment as a non-contact, i.e., without major solid/liquid medium application or abrasion, and non-chemical surface preparation method for aerospace coating systems. It was proposed to use the laser-interference technique to structure surfaces of Al and/or Ti, creating "rough" surfaces with pre-engineered series of ridges and valleys at submicron scale. The science goal of this study was to develop an understanding of the surface microstructure, topology, and physical mechanisms that would improve adhesion and corrosion protection of Al2024-T3. Microstructure analysis indicates that the laser-interference structuring (LIS) was found to reduce the formation of CuMn-rich precipitates in Al 2024-T3 over a 500-800 nm depth from top surface. The X-cut and cross-hatch coating adhesion ratings indicate that the LIS specimens meet the performance requirements in the coating adhesion specifications by having a higher or identical ranking to those specimens prepared with current state-of-the-art chemical conversion or sulfuric acid anodizing. After the ASTM B117 corrosion exposure, it was found that the laser processed specimens exhibited only few blisters. It was found that the corrosion damage was minimized at a laser rastering speed of 4 mm/s, for which only 33% of specimens developed very minor corrosion damage. The ASTM D1654 creepage ratings, used to evaluate corrosion damage along the scribe lines, were found to be at least nine for all coated panels. These results indicate that the laser-interference technique with the additional acetone wiping has the potential to be further developed as a minor chemical surface preparation technique for chromate-containing epoxy primers coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Non-equilibrium states and interactions in the topological insulator and topological crystalline insulator phases of NaCd4As3

Topological materials are of great interest because they can support metallic edge or surface states that are robust against perturbations, with the potential for technological applications. Here, we experimentally explore the light-induced non-equilibrium properties of two distinct topological phases in NaCd4As3: a topological crystalline insulator (TCI) phase and a topological insulator (TI) phase. This material has surface states that are protected by mirror symmetry in the TCI phase at room temperature, while it undergoes a structural phase transition to a TI phase below 200 K. After exciting the TI phase by an ultrafast laser pulse, we observe a leading band edge shift of >150 meV that slowly builds up and reaches a maximum after ∼0.6 ps and that persists for ∼8 ps. The slow rise time of the excited electron population and electron temperature suggests that the electronic and structural orders are strongly coupled in this TI phase. It also suggests that the directly excited electronic states and the probed electronic states are weakly coupled. Both couplings are likely due to a partial relaxation of the lattice distortion, which is known to be associated with the TI phase. In contrast, no distinct excited state is observed in the TCI phase immediately or after photoexcitation, which we attribute to the low density of states and phase space available near the Fermi level. Our results show how ultrafast laser excitation can reveal the distinct excited states and interactions in phase-rich topological materials.

Angle-resolved photoemission spectroscopy↗
DOE OSTI2021

Strongly coupled $\mathrm{QFT}$ dynamics via $\mathrm{TQFT}$ coupling

We consider a class of quantum field theories and quantum mechanics, which we couple to $\mathbb{Z}$ N topological QFTs, in order to classify non-perturbative effects in the original theory. The $\mathbb{Z}$ N TQFT structure arises naturally from turning on a classical background field for a $\mathbb{Z}$ N 0- or 1-form global symmetry. In SU(N) Yang-Mills theory coupled to $\mathbb{Z}$ N TQFT, the non-perturbative expansion parameter is exp[-S I /N] = exp[-8π 2 /g 2 N] both in the semi-classical weak coupling domain and strong coupling domain, corresponding to a fractional topological charge configurations. To classify the non-perturbative effects in original SU(N) theory, we must use PSU(N) bundle and lift configurations (critical points at infinity) for which there is no obstruction back to SU(N). These provide a refinement of instanton sums: integer topological charge, but crucially fractional action configurations contribute, providing a TQFT protected generalization of resurgent semi-classical expansion to strong coupling. Monopole-instantons (or fractional instantons) on T 3 x $S^1_L$ can be interpreted as tunneling events in the ’t Hooft flux background in the PSU(N) bundle. The construction provides a new perspective to the strong coupling regime of QFTs and resolves a number of old standing issues, especially, fixes the conflicts between the large-N and instanton analysis. We derive the mass gap at θ = 0 and gaplessness at θ = π in $\mathbb{CP}$ 1 model, and mass gap for arbitrary θ in $\mathbb{CP}$ N-1 , N ≥ 3 on $\mathbb{R}$ 2 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Growth and Development of Quantum Materials

Topological insulators (TIs) display a new state of quantum matter, which is broadly known as quantum materials. The TIs have a unique property of being an insulator as a bulk property and having conducting surface states, which are symmetry-protected Dirac Fermions and well isolated from the bulk valence and conduction bands. Ideally, these topological surface states and bulk electronic states should act independently. The degree to which they intermix depends on the crystalline quality, composition and defects present in the material. These materials thus demand very high-quality crystals to observe the desired quantum properties. We proposed growth of high-quality single crystals and thin films to enhance the ability to fabricate devices with unique performance attributes. Two separate approaches will be made to make the thin films, one is exfoliation of 2D monolayer from the grown single crystals and the second is thin films grown by pulsed laser deposition. Both techniques will subsequently allow for fabrication of meso structures using a Focused Ion Beam technique.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sign-tunable anomalous Hall effect induced by two-dimensional symmetry-protected nodal structures in ferromagnetic perovskite thin films

Magnetism and spin-orbit coupling are two quintessential ingredients underlying topological transport phenomena in itinerant ferromagnets. When spin-polarized bands support nodal points/lines with band degeneracy that can be lifted by spin-orbit coupling, the nodal structures become a source of Berry curvature, leading to a large anomalous Hall effect. However, two-dimensional systems can possess stable nodal structures only when proper crystalline symmetry exists. Here, in this study, we show that two-dimensional spin-polarized band structures of perovskite oxides generally support symmetry-protected nodal lines and points that govern both the sign and the magnitude of the anomalous Hall effect. To demonstrate this, we performed angle-resolved photoemission studies of ultrathin films of SrRuO 3 , a representative metallic ferromagnet with spin-orbit coupling. We show that the sign-changing anomalous Hall effect upon variation in the film thickness, magnetization and chemical potential can be well explained by theoretical models. Our work may facilitate new switchable devices based on ferromagnetic ultrathin films.

36 MATERIALS SCIENCE↗