Topological Surface Research Articles

Observation of elastic Weyl points in ferroelectric based sonic metamaterials

The study of Weyl points in electronic systems has recently inspired extensive research in classical systems, such as photonic and acoustic lattices. We construct a single-phase three-dimensional structure, an analog of the honeycomb lattice, and then predict the existence of Weyl points with opposite topological charges (±1) as well as the associated gapless topologically protected surface states. We apply full-scale numerical simulations on the elastic three-dimensional structure and present a clear visualization of the topological surface states that are directional and robust. Such designed lattices can pave the way for novel vibration control and energy harvesting on structures that are ubiquitous in many engineering applications.

A plant cyclic nonapeptide of orbitide type: an electron density study

Abstract The electron density distribution (EDD) of a plant cyclic nonapeptide of orbitide type was studied. Crystal X-ray diffraction data was obtained from the Cambridge Structural Database (CSD) and refitted using scattering factors of the invariom library, thereby providing aspherical electron density. Bond topological, atomic properties and molecular surfaces (electrostatic potential and Hirshfeld surfaces) were derived. The partial double bond character of the peptide bond was confirmed by the ellipticity ε = 0.25. For eight N–H⋯O hydrogen bonds, atomic charges of contributing atoms differ depending on the type of the accepting oxygen atom. Atomic charge differences between negative main and positive side chains of this nonapeptide result in characteristic features of the electrostatic potential, which shows a positive isosurface around the molecule leading to repulsive interactions in the solid state structure. Weak intermolecular interactions are indicated by insignificant ED concentrations on the Hirshfeld surface except for weak signals at sites of intermolecular N–H⋯O and C–H⋯O hydrogen bonds.

Ingenious microstructure combination through topological surface state enabled MnBi2Te4/carbon fibers to be an ultrathin absorber

Topological insulators exhibit great attraction in the fields of spintronics and quantum anomalous Hall effect, but their interaction with electromagnetic waves is rarely explored. Herein, topological insulator MnBi2Te4, synthesized via a solid-phase melting approach, was employed to compound with conductive materials. Benefiting from the unique topological untrivial property embodied in conductive topological surface state and ingenious composite microstructure, MnBi2Te4/carbon fibers displayed an efficient conductive network and high permittivity, obtaining an ultrathin electromagnetic wave absorption capacity with a maximum effective absorbing bandwidth of 2.6 GHz at 0.9 mm and a minimum reflection loss of −38.4 dB at 1.2 mm. More importantly, its effective absorbing peaks can cover 2–18 GHz through regulating its thickness, ranging from 0.8 to 6 mm. It is deciphered that topological insulators can retain the conductivity from conductive materials to a great extent and achieve distinct performances by compositing with materials of various microstructures. This work provides valuable insights into utilizing the unique advantages of topological insulators through compositing strategy and presents a precious approach for electromagnetic wave–absorbing composite materials.

Room temperature nonlocal detection of charge-spin interconversion in a topological insulator

Topological insulators (TIs) are emerging materials for next-generation low-power nanoelectronic and spintronic device applications. TIs possess non-trivial spin-momentum locking features in the topological surface states in addition to the spin-Hall effect (SHE), and Rashba states due to high spin-orbit coupling (SOC) properties. These phenomena are vital for observing the charge-spin conversion (CSC) processes for spin-based memory, logic and quantum technologies. Although CSC has been observed in TIs by potentiometric measurements, reliable nonlocal detection has so far been limited to cryogenic temperatures up to T = 15 K. Here, we report nonlocal detection of CSC and its inverse effect in the TI compound Bi1.5Sb0.5Te1.7Se1.3 at room temperature using a van der Waals heterostructure with a graphene spin-valve device. The lateral nonlocal device design with graphene allows observation of both spin-switch and Hanle spin precession signals for generation, injection and detection of spin currents by the TI. Detailed bias- and gate-dependent measurements in different geometries prove the robustness of the CSC effects in the TI. These findings demonstrate the possibility of using topological materials to make all-electrical room-temperature spintronic devices.

Evidence of superconducting Fermi arcs

An essential ingredient for the production of Majorana fermions for use in quantum computing is topological superconductivity1,2. As bulk topological superconductors remain elusive, the most promising approaches exploit proximity-induced superconductivity3, making systems fragile and difficult to realize4–7. Due to their intrinsic topology8, Weyl semimetals are also potential candidates1,2, but have always been connected with bulk superconductivity, leaving the possibility of intrinsic superconductivity of their topological surface states, the Fermi arcs, practically without attention, even from the theory side. Here, by means of angle-resolved photoemission spectroscopy and ab initio calculations, we identify topological Fermi arcs on two opposing surfaces of the non-centrosymmetric Weyl material trigonal PtBi2 (ref. 9). We show these states become superconducting at temperatures around 10 K. Remarkably, the corresponding coherence peaks appear as the strongest and sharpest excitations ever detected by photoemission from solids. Our findings indicate that superconductivity in PtBi2 can occur exclusively at the surface, rendering it a possible platform to host Majorana modes in intrinsically topological superconductor–normal metal–superconductor Josephson junctions.

Strain-Induced Topological Phase Transitions Covering the Indicator in Orthorhombic Li2AuBi.

The symmetry indicator is widely used to classify topological materials hosting inversion symmetry. We find orthorhombic Li2AuBi in space group Cmcm is a topological insulator with under no strain via first-principles calculations. Due to small band gaps in the kz = 0 plane, the band inversions can be selectively induced by moderate external strains to realize phases covering all values of = 1, 2, 3, and 0. Detailed phase diagrams are plotted under various moderate strains. The (001) surface states and their associated Fermi surfaces and spin textures are calculated. The topological surface states have different connectivities and different spin textures for the four different phases. The tunability of topological surface states via moderate strain suggests Li2AuBi as an attractive topological material for device applications.

Optical conductivity of a Bi2Se3 topological insulator with a THz transparent top gate

Abstract We have performed an investigation into the optical conductivity and magnetotransport properties of top-gated devices patterned on the topological insulator Bi2Se3 in order to determine the relative effects of the different carrier species that exist within these novel materials. We find that the topologically protected surfaces within our samples are partially screened from the action of the gate by trivial band-bending states formed at the top surface of the topological insulator. Despite this, the mobility of the topological surface carriers is significantly affected by the application of an external gate bias. Additionally, we find that the optical conductivity response is dominated by the topologically protected surface states, and that the optical conductivity is particularly sensitive to the scattering caused by the topological surfaces coupling to trivial states, arising from the bulk or band-bending induced surface states. These results will have interesting applications to the design of future plasmonic devices that incorporate topological materials.

In Silico Molecular Docking of Phytochemicals of Murraya koenigii Against Streptococcus mutans.

Background The curry leaf tree, Murraya koenigii, is a tropical to subtropical tree in the family Rutaceae that is native to Asia. The plant parts are shown to have potential antimicrobial, antioxidant, antifungal, antidiarrheal, antidiabetic, anticancer, and anti-inflammatory properties. Streptococcus mutans is a facultative anaerobic, Gram-positive cocci, a common inhabitant of the human oral cavity that forms biofilms, contributing to dental caries. Aim The study aimed to analyze the inhibitory potential of phytocompounds in M. koenigii against the oral pathogen S. mutans. Materials and methods The protein and ligand were prepared, and molecular docking was carried out using the Hex protein docking server. The PyMOL program was used to view, analyze, and annotate the docked complex. The interaction of the drug, including the mechanism of action, and predicted adverse effects were predicted using the Way2Drug PASS Online server. The absorption, distribution, metabolism, excretion, and toxicity properties of the drug candidates were analyzed using the SwissADME online server. Results The study identified O-methyl murrayamine, koenigine, koenigicine, and murrayone as having inhibitory potential against the glycosyltransferase protein of S. mutans. Among the four compounds analyzed for docking, koenigicine had the lowest E-score, indicating a strong interaction with the receptor. Among the four compounds analyzed, murrayone had a high topological polar surface area score, while all four compounds had similar bioavailability scores. Conclusion This study concluded that O-methyl murrayamine, koenigine, koenigicine, and murrayone exhibit potent inhibitory potential against S. mutans. M. koenigiileaf extract can be used in toothpaste as an antibacterial agent to protect teeth against dental caries. These findings are important for the potential use of the above compound to act as an anticariogenic agent in oral health applications.

Direct Determination of Photonic Stopband Topological Character: A Framework Based on Dispersion Measurements

Ascertainment of photonic stopband absolute topological character requires information regarding the Bloch eigenfunction spatial distribution. Consequently, the experimental investigations predominantly restrict themselves to the bulk‐boundary correspondence principle and the ensuing emergence of topological surface state. Although capable of establishing the equivalence/inequivalence of bandgaps, the determination of their absolute topological identity remains out of its purview. The alternate method of reflection phase‐based identification also provides only contentious improvements owing to the measurement complexities pertaining to the interferometric setups. To circumvent these limitations, the Kramers–Kronig amplitude‐phase causality considerations are resorted to and an experimentally conducive method is proposed for bandgap topological character determination directly from the parametric reflectance measurements. Particularly, it is demonstrated that in case of 1D photonic crystals, polarization‐resolved dispersion measurements suffice in qualitatively determining bandgaps’ absolute topological identities. By invoking the translational invariance of the investigated samples, a parameter “differential effective mass” is also defined, that encapsulates bandgaps’ topological identities and engenders an experimentally discernible bandgap classifier.

Experimental observation of gapped topological surface states in Sb-doped MnBi4Te7

The realization of intrinsic magnetic topological insulators offers an ideal platform to investigate high-temperature quantum anomalous Hall effect as well as quantum devices. The family of MnBi2Te4(Bi2Te3)n has been confirmed that it belongs to this system. However, whether there is a bandgap in the surface states remains controversial. In this work, the ferromagnetism in Sb-doped MnBi4Te7 is confirmed by magnetic transport. Utilizing angle-resolved photoemission spectroscopy, we demonstrate the nontrivial topology in Mn(Bi0.7Sb0.3)4Te7 with an energy gap on the MnBi2Te4 termination. As well, we detect distinct topological surface states on two different terminations. Our results provide spectral evidence of an energy gap in the topological surface states.

Observation of Anomalous Planar Hall Effect Induced by One-Dimensional Weak Antilocalization.

The confinement of electrons in one-dimensional (1D) space highlights the prominence of the role of electron interactions or correlations, leading to a variety of fascinating physical phenomena. The quasi-1D electron states can exhibit a unique spin texture under spin-orbit interaction (SOI) and thus could generate a robust spin current by forbidden electron backscattering. Direct detection of such 1D spin or SOI information, however, is challenging due to complicated techniques. Here, we identify an anomalous planar Hall effect (APHE) in the magnetotransport of quasi-1D van der Waals (vdW) topological materials as exemplified by Bi4Br4, which arises from the quantum interference correction of 1D weak antilocalization (WAL) to the ordinary planar Hall effect and demonstrates a deviation from the usual sine and cosine curves. The occurrence of 1D WAL is correlated to the line-shape Fermi surface and persistent spin texture of (100) topological surface states of Bi4Br4, as revealed by both our angle-resolved photoemission spectroscopy and first-principles calculations. By generalizing the observation of APHE to other non-vdW bulk materials, this work provides a possible characteristic of magnetotransport for identifying the spin/SOI information and quantum interference behavior of 1D states in 3D topological material.

Monolayer Cu2Se: a topological catalysis in CO2 electroreduction

This investigation provides a comprehensive exploration into the intricate interplay between topological surface states (TSS) and catalytic performance in two-dimensional (2D) materials, with specific emphasis on monolayer Cu2Se. Leveraging the unique characteristics of nodal loop semimetals (NLSMs), we delve into the precise influence of TSS on catalytic activity, particularly in the domain of CO2 electrochemical reduction. Our findings illuminate the central role played by these TSS, arising from the underlying NLSM framework, in sculpting catalytic efficiency. The length of these surface states emerges as a critical determinant of surface density of states (DOSs), a fundamental factor governing catalytic behavior. Extension of these surface states correlates with heightened surface DOSs, yielding lower Gibbs free energies and consequently enhancing catalytic performance, particularly in the electrochemical reduction of CO2. Moreover, we underscore the profound importance of preserving symmetries that protect the nodal loop. The disruption of these symmetries is found to result in a significant degradation of catalytic efficacy, underscoring the paramount significance of topological features in facilitating catalytic processes. Therefore, this study not only elucidates the fundamental role of TSS in dictating the catalytic performance of topological 2D materials but also paves the way for harnessing these unique attributes to drive sustainable and highly efficient catalysis across a diverse spectrum of chemical processes.

Experimental detection of topological surface waves at a magnetized plasma interface in the Voigt configuration

This Letter reports on the experimental observation of a topologically non-trivial electromagnetic wave propagating perpendicular to an applied magnetic field at the interface between a gaseous plasma and metal. The resulting one-way wave-guiding is a demonstration of topological non-reciprocity associated with the edge state within the gap between the lower and upper X-modes of the bulk plasma. Electromagnetic wave excitation using simple dipole antennas results in a 20 dB isolation at 10.8 GHz with the plasma biased with a magnetic field of 87 mT. We show that reducing the magnetic field gradually diminishes the strength of the transmitted wave due to the closing of the X-mode gap.

Wormholes and surface defects in rational ensemble holography

We study wormhole contributions to the bulk path integral in holographic models which are dual to ensembles of rational free boson conformal field theories. We focus on the path integral on a geometry connecting two toroidal boundaries, which should capture the variance of the ensemble distribution. We show that this requirement leads to a nontrivial set of constraints which generically picks out the uniform, maximum entropy, ensemble distribution. Furthermore, we show that the two-boundary path integral should receive contributions from ‘exotic’ wormholes, which arise from the inclusion of topological surface defects.

TOPICS SURROUNDING THE COMBINATORIAL ANABELIAN GEOMETRY OF HYPERBOLIC CURVES IV: DISCRETENESS AND SECTIONS

Abstract Let $\Sigma $ be a nonempty subset of the set of prime numbers which is either equal to the entire set of prime numbers or of cardinality one. In the present paper, we continue our study of the pro- $\Sigma $ fundamental groups of hyperbolic curves and their associated configuration spaces over algebraically closed fields in which the primes of $\Sigma $ are invertible. The present paper focuses on the topic of comparison between the theory developed in earlier papers concerning pro- $\Sigma $ fundamental groups and various discrete versions of this theory. We begin by developing a theory concerning certain combinatorial analogues of the section conjecture and Grothendieck conjecture. This portion of the theory is purely combinatorial and essentially follows from a result concerning the existence of fixed points of actions of finite groups on finite graphs (satisfying certain conditions). We then examine various applications of this purely combinatorial theory to scheme theory. Next, we verify various results in the theory of discrete fundamental groups of hyperbolic topological surfaces to the effect that various properties of (discrete) subgroups of such groups hold if and only if analogous properties hold for the closures of these subgroups in the profinite completions of the discrete fundamental groups under consideration. These results make possible a fairly straightforward translation, into discrete versions, of pro- $\Sigma $ results obtained in previous papers by the authors. Finally, we discuss a construction that was considered previously by M. Boggi in the discrete case from the point of view of the present paper.

Quasiparticle interference of the topological surface state on gray arsenic

Quasiparticle interference of the topological surface state on gray arsenic

Barrier and finite-size effects on the extension of topological surface states into magnetic insulators

Barrier and finite-size effects on the extension of topological surface states into magnetic insulators

Molecular level interaction, electrons excitation properties, solvent effect using IEFPCM investigation, topological surface, and docking analysis of 4-pyrrolidin-2-yl-pyridine

Abstract Optimisation of molecular geometry of the headline compound, 4-pyrrolidin-2-yl-pyridine (4P2YLP) was achieved theoretically exercising Density Functional Theory using B3LYP standard approach utilising basis set, 6-311++G(d,p). Using Gaussian 09, HOMO–LUMO analysis was achieved to comprehend the chemical activity and electronic properties of the heading compound. The least HOMO–LUMO gap was obtained for gas phase (5.6486). Bonding interlinkage of the fragments is accomplished by Natural Bonding Orbitals (NBO), as steadiness and chemical reactivity depend on the border molecular orbitals. The nucleophilic & electrophilic spots along with 3D charge transmission areas are determined using the Molecular Electrostatic Potential (MEP). Multiwfn 3.8 software with Pauli Repulsion (PR) & electron localization has been used to conduct ELF and LOL research. While LOL simply displays the most closely spaced orbitals overlapping, ELF displays the electron pair density. Non-linear response properties are analysed in a variety of solvents. The dipole moment (1.9039), polarizability (3.23017E-23 esu) & first order hyperpolarizability (1.51981E-30 esu) of water are the highest values among the selected solvents. Different solvents endured UV–Vis analysis employing TD-DFT technique and the absorption of maximum wavelength is accomplished. Fructose 5-dehydrogenase inhibitor activity by docking is investigated using molecular modelling procedures.

Investigation of thermoelectric and magnetotransport properties of single crystalline Bi2Se3 topological insulator

The realization of remarkable thermoelectric (TE) properties in a novel single-crystalline quantum material is a topic of prime interest in the field of thermoelectricity. It necessitates a proper understanding of transport properties under magnetic field and magnetic properties at low field. We report polarized Raman spectroscopic study, TE properties, and magneto-resistance (MR) along with magnetic characterization of single-crystalline Bi2Se3. Polarized Raman spectrum confirms the strong polarization effect of A1g1 and A1g2 phonon modes, which verifies the anisotropic nature of the Bi2Se3 single crystal. Magnetization measurement along the in-plane direction of single crystal divulges a cusp-like paramagnetic response in susceptibility plot, indicating the presence of topological surface states (TSSs) in the material. In-depth MR studies performed in different configurations also confirm the presence of anisotropy in the single-crystalline Bi2Se3 sample. A sharp rise in MR value near zero magnetic field and low-temperature regime manifests a weak anti-localization (WAL) effect, depicting the quantum origin of the conductivity behavior at low temperature. Moreover, in-plane magneto-conductivity data at low-temperature (up to 5 K) and low-field region (≤15 kOe) confirm the dominance of the WAL effect (due to TSS) with a negligible bulk contribution. Quantum oscillation (SdH) in magneto-transport data also exhibits the signature of TSS. Additionally, an exceptional TE power factor of ∼950 μW m−1 K−2 at 300 K is achieved, which is one of the highest values reported for pristine Bi2Se3. Our findings pave the way for designing single crystals, which give dual advantages of being a good TE material along with a topological insulator bearing potential application.

ARPES investigation of the electronic structure and its evolution in magnetic topological insulator MnBi2+2nTe4+3n family.

In the past 5 years, there has been significant research interest in the intrinsic magnetic topological insulator family compounds MnBi2+2nTe4+3n (where n=0, 1, 2 …). In particular, exfoliated thin films of MnBi2Te4 have led to numerous experimental breakthroughs, such as the quantum anomalous Hall effect, axion insulator phase and high-Chern number quantum Hall effect without Landau levels. However, despite extensive efforts, the energy gap of the topological surface states due to exchange magnetic coupling, which is a key feature of the characteristic band structure of the system, remains experimentally elusive. The electronic structure measured by using angle-resolved photoemission (ARPES) shows significant deviation from ab initio prediction and scanning tunneling spectroscopy measurements, making it challenging to understand the transport results based on the electronic structure. This paper reviews the measurements of the band structure of MnBi2+2nTe4+3n magnetic topological insulators using ARPES, focusing on the evolution of their electronic structures with temperature, surface and bulk doping and film thickness. The aim of the review is to construct a unified picture of the electronic structure of MnBi2+2nTe4+3n compounds and explore possible control of their topological properties.