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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Carbon Kagome nanotubes—quasi-one-dimensional nanostructures with flat bands

In recent years, a number of bulk materials and heterostructures have been explored due their connections with exotic materials phenomena emanating from flat band physics and strong electronic correlation. The possibility of realizing such fascinating material properties in simple realistic nanostructures is particularly exciting, especially as the investigation of exotic states of electronic matter in wire-like geometries is relatively unexplored in the literature. Motivated by these considerations, we introduce in this work carbon Kagome nanotubes (CKNTs)—a new allotrope of carbon formed by rolling up Kagome graphene, and investigate this material using specialized first principles calculations. We identify two principal varieties of CKNTs—armchair and zigzag, and find both varieties to be stable at room temperature, based on ab initio molecular dynamics simulations. CKNTs are metallic and feature dispersionless states (i.e., flat bands) near the Fermi level throughout their Brillouin zone, along with an associated singular peak in the electronic density of states. We calculate the mechanical and electronic response of CKNTs to torsional and axial strains, and show that CKNTs appear to be more mechanically compliant than conventional carbon nanotubes (CNTs). Additionally, we find that the electronic properties of CKNTs undergo significant electronic transitions—with emergent partial flat bands and tilted Dirac points—when twisted. We develop a relatively simple tight-binding model that can explain many of these electronic features. We also discuss possible routes for the synthesis of CKNTs. Overall, CKNTs appear to be unique and striking examples of realistic elemental quasi-one-dimensional materials that may display fascinating material properties due to strong electronic correlation. Distorted CKNTs may provide an interesting nanomaterial platform where flat band physics and chirality induced anomalous transport effects may be studied together.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Robust Kagome Electronic Structure in Topological Quantum Magnets XMn 6 Sn 6 (X = Dy, Tb, Gd, Y)

Crystal geometry can greatly influence the emergent properties of quantum materials. As an example, the kagome lattice is an ideal platform to study the rich interplay between topology, magnetism, and electronic correlation. In this work, combining high-resolution angle-resolved photoemission spectroscopy and ab initio calculation, we systematically investigate the electronic structure of XMn 6 Sn 6 (X=Dy,Tb,Gd,Y) family compounds. Here, we observe the Dirac fermion and the flat band arising from the magnetic kagome lattice of Mn atoms. Interestingly, the flat band locates in the same energy region in all compounds studied, regardless of their different magnetic ground states and 4f electronic configurations. These observations suggest a robust Mn magnetic kagome lattice across the XMn 6 Sn 6 family, thus providing an ideal platform for the search for, and investigation of, new emergent phenomena in magnetic topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin and Charge Interconversion in Dirac-Semimetal Thin Films

We use spin torque ferromagnetic resonance and ferromagnetic-resonance-driven spin pumping to detect spin-charge interconversion at room temperature in heterostructure devices that interface an archetypal Dirac semimetal, Cd 3 As 2 , with a metallic ferromagnet, Ni 0.80 Fe 0.20 (permalloy). Angle-resolved photoemission directly reveals the Dirac-semimetal nature of the samples prior to device fabrication and high-resolution transmission electron microscopy is used to characterize the crystalline structure and the relevant heterointerfaces. We find that the spin-charge interconversion efficiency in Cd 3 As 2 /permalloy heterostructures is comparable to that in heavy metals and that it is enhanced by the presence of an interfacial oxide. Spin torque ferromagnetic resonance measurements reveal an in-plane spin polarization regardless of an oxidized or pristine interface. We discuss the underlying mechanisms for spin-charge interconversion by comparing our results with first principles calculations and conclude that extrinsic mechanisms dominate the observed phenomena. Our results indicate a need for caution in interpretations of spin-transport and spin-charge conversion experiments in Cd 3 As 2 devices that seek to invoke the role of topological Dirac and Fermi arc states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1971

Search for magnetic monopoles in lunar material.

A search for magnetic monopoles in lunar material has been performed by the electromagnetic measurement of the magnetic charge of samples. All measurements were found consistent with zero charge for all samples and inconsistent with any other value allowed by the Dirac theory. Upper limits are determined for the monopole flux in cosmic radiation and for the pair-production cross section in proton-nucleon collisions.

Eberhard, P. H.↗
DOE OSTI2026

Pairing around a single Dirac point: A unifying view of Kohn-Luttinger superconductivity in Chern bands, quarter metals, and topological surface states

Superconductivity of a single two-dimensional Dirac fermion offers a natural route to topological superconductivity. While usually considered extrinsic—arising from proximity to a conventional superconductor—we investigate when a doped Dirac cone can develop superconductivity from a short-range repulsive interaction 𝑈 via the Kohn–Luttinger mechanism. We show that an ideal, linear Dirac cone is immune to pairing at leading order in 𝑈 2 . Superconductivity instead emerges only through higher-order in 𝑘 corrections to the dispersion, which are unavoidable in any lattice realization and crucially dictate the pairing symmetry. The form of the pairing thus reflects how the well-known obstruction to realizing a single Dirac cone on a lattice is circumvented. When a Dirac cone arises from broken time-reversal symmetry—for instance, at a transition between Chern insulators or in a valley-polarized phase—we find a topological 𝑝−𝑖⁢𝑝 state whose chirality is opposite to that of the parent chiral metal above 𝑇 𝑐 . By contrast, for a surface Dirac cone of a 3D topological insulator, superconductivity is stabilized by anisotropies in the dispersion. For 𝐶 3⁢𝑣 -symmetric warping, as in , pairing is strongest when the Fermi surface becomes hexagonal, leading to order in the (𝑑±𝑖⁢𝑑)×(𝑝+𝑖⁢𝑝) channel with accidental near-nodes. In the highly anisotropic limit 𝑣 𝑥 ≫𝑣 𝑦 , relevant to side surfaces of layered materials, the Fermi surface splits into two branches, and nesting favors a pairing symmetry 𝛥∼s⁢g⁡n⁢(𝑘 𝑥 )⁢cos⁡(𝑘 𝑦 ) reminiscent of organic superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tutorial: Defects in topological semimetals

Three-dimensional topological semimetals are a class of electronic materials in which their bulk and surface states contain linear band touching nodes near the Fermi level. Like semiconductors, their properties will be affected by point and extended defects in their crystal structures, although the extent to which defects and disorders influence topological semimetals may differ in key ways due to their unique electronic structures. In this Tutorial, we provide an overview of the defects in topological semimetals, covering both computational and experimental methods for exploring defect-property relationships. We also include a discussion on open questions that still need to be explored further.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Bulk Fermi surfaces of the Dirac type-II semimetallic candidate NiTe 2

Here, we present a study on the Fermi surface of the Dirac type-II semimetallic candidate NiTe 2 via the temperature and angular dependence of the de Haas–van Alphen (dHvA) effect measured in single crystals grown through Te flux. In contrast to its isostructural compounds like PtSe 2 , band-structure calculations predict NiTe 2 to display a tilted Dirac node very close to its Fermi level that is located along the Γ to A high-symmetry direction within its first Brillouin zone. The angular dependence of the dHvA frequencies is found to be in agreement with the first-principles calculations when the electronic bands are slightly shifted with respect to the Fermi level (ε F ), and therefore provide support for the existence of a Dirac type-II node in NiTe 2 . Nevertheless, we observed mild disagreements between experimental observations and density functional theory (DFT) calculations as, for example, nearly isotropic and light experimental effective masses. This indicates that the dispersion of the bands is not well captured by DFT. Despite the coexistence of Dirac-like fermions with topologically trivial carriers, samples of the highest quality display an anomalous and large either linear or sublinear magnetoresistivity. Finally, this suggests that Lorentz invariance breaking Dirac-like quasiparticles dominate the carrier transport in this compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Topological electronic properties of silicon

The central role that materials play in human history is exemplified by the three-age division of prehistory into the stone, bronze, and iron ages. References to our present time as the information age or silicon age epitomizes the important role that this semiconducting material came to play in the development of computers and devices that permeate our daily lives. Here we show that the electronic states in silicon have nontrivial topological structures that are captured by a network of Berry flux lines that link at points of high symmetry in the Brillouin zone. Further, This complex network has ice-nodal points where fluxes satisfy ice rules, making silicon a nodal-chain insulator. Fixing the longitudinal momentum parallel to such flux lines yields a two-dimensional Dirac Hamiltonian for the transverse degrees of freedom. Similar to nodal-chain semimetals, we find drumheadlike states in the regions that are delimited by the projections of the bulk Berry flux network on the surface Brillouin zone.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In-plane plasmon coupling in topological insulator Bi 2 Se 3 thin films

The surface states of the 3D topological insulator (TI), Bi 2 Se 3 , are known to host two-dimensional Dirac plasmon polaritons (DPPs) in the terahertz spectral range. In TI thin films, the DPPs excited on the top and bottom surfaces couple, leading to an acoustic mode and an optical plasmon mode. Vertical coupling in these materials is, therefore, reasonably well-understood, but in-plane coupling among localized TI DPPs has yet to be investigated. In this paper, we demonstrate in-plane DPP coupling in TI stripe arrays and show that they exhibit dipole–dipole type coupling. Here, the coupling becomes negligible when the lattice constant is greater than approximately 2.8 times the stripe width, which is comparable to results for in-plane coupling of localized plasmons excited on metallic nanoparticles or graphene plasmon polaritons. This understanding could be leveraged for the creation of TI-based metasurfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Topological Hall Effect Anisotropy in Kagome Bilayer Metal Fe 3 Sn 2

Kagome lattice materials attract growing interest for their topological properties and flat-bands in electronic structure. We present comprehensive study on the anisotropy and out-of-plane electric transport in Fe 3 Sn 2 , a metal with bilayer of Fe kagome planes and with massive Dirac fermions that features high-temperature non-collinear magnetic structure and magnetic skyrmions. For the electrical current path along the c-axis, in micron-size crystals, we found a large topological Hall effect (THE) over a wide temperature range down to spin-glass state. Twofold and fourfold angular magnetoresistance are observed for different magnetic phases, reflecting the competition of magnetic interactions and magnetic anisotropy in kagome lattice that preserve robust topological Hall effect for inter kagomebilayer currents. This information provides new insight into the anisotropy in Fe 3 Sn 2 , of interest in skyrmionicbubble application-related micron-size devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Micrometre-scale single-crystalline borophene on a square-lattice Cu(100) surface

Borophene, a crystalline monolayer boron sheet, is a new two-dimensional (2D) quantum material, predicted to feature tunable structure, intriguing physics and to find applications in flexible electronics, energy storage and catalysis. Nanoscale borophene flakes have been synthesized on noble-metal surfaces, but for device fabrication, one needs large single-crystal domains. In this work, we report the synthesis of borophene on a square lattice Cu(100) surface and show that incommensurate coordinations could reduce the borophene-substrate interactions and alter the borophene structures in interesting ways. Micrometer-scale single-crystal domains can form as isolated faceted islands or merge together to achieve full monolayer coverage. We have discovered a new crystal structure of borophene, with ten boron atoms and two hexagonal vacancies in the unit cell. First-principle calculations indicate that charge transfer rather than covalent bonding binds 2D boron to the copper surface, and confirm its integrity and uniformity The electronic band structure features multiple anisotropic tilted Dirac cones, heralding emergent quantum fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Electronic structure in a rare-earth based nodal-line semimetal candidate PrSbTe

Nodal-line semimetals feature topologically protected band crossings between the bulk valence and conduction bands that extend along a finite dimension in the form of a line or a loop. While ZrSiS and similar materials have attracted extensive research as hosts for the nodal-line semimetallic phase, an alternative avenue has emerged in the form of isostructural rare-earth (RE)-based RESbTe materials. Such systems possess intriguing potentialities for harboring elements of magnetic ordering and electronic correlations owing to the presence of 4f electrons intrinsic to the RE elements. In this study, we have carried out angle-resolved photoemission spectroscopy (ARPES) and thermodynamic measurements in conjunction with first-principles computations on PrSbTe to elucidate its electronic structure and topological characteristics. Magnetic and thermal characterizations indicate the presence of well-localized 4f states with the absence of any discernible phase transition down to 2 K. The ARPES results reveal the presence of gapless Dirac crossings that correspond to a nodal-line along the X-R direction in the three-dimensional Brillouin zone. Furthermore, Dirac crossing that makes up the nodal line, which forms a diamond-shaped nodal plane centered at the center of the Brillouin zone, is also identified within the experimental resolution. In conclusion, this study on the electronic structure of PrSbTe contributes to the understanding of the pivotal role played by spin-orbit coupling in the context of the RESbTe family of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Detecting topological phase transitions in cadmium arsenide films via the transverse magnetoresistance

Topological protection against localization causes electrical transport phenomena in disordered topological materials to differ from those in topologically trivial systems. For example, a transition between a regime of weak localization to one of weak antilocalization can occur in systems such as topological insulators and topological semimetals when an external potential is applied across the system. Here, we report on the transverse magnetoresistance of thin films of cadmium arsenide, a topological non-trivial material, as we tune the electronic states and the Fermi level. We show that the appearance of weak localization and weak antilocalization sensitively reflects the relative contributions of multiple transport channels involving both gapless (massless) and gapped (massive) Dirac fermion states present in these films. Furthermore, the data is consistent with expectations of the different topological states of these films. Weak (anti-) localization phenomena can therefore serve as a probe of the types of Dirac fermions present in topological semimetals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Evidence for nitrogen binding to surface defects for topological insulator Bi 2 Se 3

Using scanning tunneling spectroscopy and theoretical simulations we have studied the effects of nitrogen gas exposure on the electronic density of states of Bi 2 Se 3 , a well-studied topological insulator. In carefully controlled measurements, Bi 2 Se 3 crystals were initially cleaved in a helium gas environment and then exposed to a 22 SCFH flow of ultra-high purity N 2 gas. We observe a resulting change in the spectral curves, with the exposure effect saturating after approximately 50 min, ultimately bringing the Dirac point about 50 meV closer to the Fermi level. Furthermore, these results are compared to density functional theory calculations, which support a picture of N 2 molecules physisorbing near Se vacancies. Furthermore, ab initio molecular dynamics simulations aided by a Blue Moon ensemble method reveal the dissociative adsorption of N 2 molecules which then bind strongly to Se vacancies at the surface. In this scenario, the binding of the N atom to a Se vacancy site removes the surface defect state created by the vacancy and changes the position of the Fermi energy with respect to the Dirac point.

36 MATERIALS SCIENCE↗