Triangular Lattice Research Articles

Broadening of the carbon window and the appearance of core-rim carbides in WC-Fe/Ni cemented carbides

Among several separate challenges, the major one for replacing cobalt in cemented carbides is the difficulty to obtain alternative binder materials with a C-window broad enough to be robustly processed under conventional industrial control on the C content. The C-window is defined as the C content range for which phases that are detrimental to the mechanical properties are avoided. The present paper has two main objectives: first, to show that the processing C-window of Fe-Ni based systems is in fact wider than what thermodynamic equilibrium calculations predict, and that its width can be controlled moderately by tweaking the initial WC grain size and the cooling rate used in the material’s processing. Secondly, in case those detrimental phases are not avoided, this work gives insight on how to make their appearance less detrimental for the mechanical properties. The morphology, volume fraction and particle size distribution of the detrimental phases, specifically η6-carbides at low C contents, are investigated to explore desirable combination of hardness and toughness of alternative binder cemented carbides. During this study it was also discovered that in samples with carbon contents below the low-C limit of the C window a carbide with hexagonal lattice known as κ, not commonly seen in cemented carbides, appeared and formed the core of a core-rim structure together with the more common η6-phase. It is believed that the κ-carbide form due to local high concentrations of tungsten during solid state sintering and that it has an impact on the precipitation characteristics of the η6-phase.

Synergistic effects and electrocatalytic insight of single-phase hexagonal structure as low-temperature solid oxide fuel cell cathode

Enhancing the electrocatalytic activity of the electrode materials, specifically oxygen reduction reaction (ORR), at lower operating temperatures (<600 °C) is the prime rank to realize the commercialization of solid oxide fuel cells (SOFCs) research. Herein, a new hexagonal structure-based cathode material was developed with the co-doping of Gd2O3 and Cr2O3 of parent SrFe12O19 oxide, respectively. At 550‒475 °C, Sr0.90Gd0.10Fe11.90Cr0.10O19 (SFO-10) cathode sample leading to the large peak power density (PPD) of 395 mW/cm2, has appropriate surface oxygen defects (Oβ) up to 17%, as verified by X-ray photoelectron microscopy (XPS). Theoretical calculations reveal that the co-doping of Gd and Cr oxides creates lattice disorder at the hexagonal lattice, which decreases the energy barrier for ion transport and enhances the electrocatalytic characteristics of ORR. Consequently, the SFO-10 cathode shows a favorable ORR activity with the least lower polarization resistance (ASR) at 550 °C with gadolinium-doped ceria (GDC) electrolyte. This work provides a self-assembled single-phase hexagonal cathode to accelerate the low-temperature hindrance of SOFC technology.

Valley edge states with opposite chirality in temperature dependent acoustic media

The valley degree of freedom in phononic crystals and metamaterials holds immense promise for manipulating acoustic and elastic waves. However, the impact of acoustic medium properties on valley edge state frequencies and their robustness to one-way propagation in valley topological phononic crystals remains unexplored. While significant attention has been devoted to scatterer design embedded in honeycomb lattices within acoustic and elastic media to achieve valley edge states and topologically protected nontrivial bandgaps, the influence of variations in acoustic medium properties, such as wave velocity and density affected by environmental temperature, has been overlooked. In this study, we investigate the effect of valley edge states and topological phases exhibited by topological phononic lattices in a temperature-dependent acoustic medium. We observe that a decrease in wave velocity and density, influenced by changing environmental temperature, shifts the topological valley edge states to lower frequencies. Therefore, alongside phononic lattice design, it is crucial to consider the impact of acoustic medium properties on the practical application of acoustic topological insulators. This issue becomes particularly significant when a topological phononic crystal is placed in a wave medium that transitions from incompressible to compressible, where wave velocity and density are no longer constant. Our findings offer a novel perspective on investigating topological insulators in variable acoustic media affected by changing thermodynamic and fluid properties.

Synthesis, disorder and Ising anisotropy in a new spin liquid candidate PrMgAl11O19

Here we report the successful synthesis of large single crystals of triangular frustrated PrMgAl11O19 using the optical floating zone technique. Single crystal x-ray diffraction (XRD) measurements unveiled the presence of quenched disorder within the mirror plane, specifically ~7% of Pr ions deviating from the ideal 2d site towards the 6h site. Magnetic susceptibility measurements revealed an Ising anisotropy with the c-axis being the easy axis. Despite a large spin–spin interaction that develops below ~10 K and considerable site disorder, the spins do not order or freeze down to at least 50 mK. The availability of large single crystals offers a distinct opportunity to investigate the exotic magnetic state on a triangular lattice with an easy axis out of the plane.

Photonic topological Anderson insulator in a two-dimensional atomic lattice

Disorder in atomic positions can induce a topologically nontrivial phase - topological Anderson insulator (TAI) - for transverse electric optical quasimodes of a two-dimensional honeycomb lattice of immobile atoms. TAI requires both time-reversal and inversion symmetries to be broken to similar extents. It is characterized by a nonzero topological invariant, a reduced density of states and spatially localized quasimodes in the bulk, as well as propagating edge states. A transition from TAI to the topological insulator (TI) phase can take place at a constant value of the topological invariant, showing that TAI and TI represent the same topological phase.

Li/La and Cu modified ZnO semiconductor: Highly boosted of dielectric and sunlight-treatment of thiamethoxam and brilliant green contaminants

Solving the global environmental problem which related to the dissolved organic pollutants into water systems is an essential issue for human-health and aquatic life. This study represents the simple synthesis of new Li/La and Cu modified ZnO compositions as active photocatalysts and proper dielectric materials for electrical energy storage devices. The synthesized powders have one phase nature with hexagonal lattice indexed to ZnO structure. The field emission scanning electron microscopy (FESEM) clearly showed that (Li, La) modified ZnO powder consist of a mixture of particles having open hexagonal tube and spherical shapes. The FESEM picture of (Li, Cu, La) modified ZnO powder revealed lumps like cabbage shape mainly composed of pieces like sheets or papers. The purity and elemental composition were also verified by energy dispersive spectroscopy (EDS) analysis. The addition of (Li, La) and (Li, Cu, La) ions to ZnO semiconductor extremely improved the dielectric constant which is a benefit for application in solid state energy storage systems. (Li, Cu, La) modified ZnO sample is a suitable catalyst for removal of organic waste owing to its high response to visible light spectrum with measured band gap energy of 2.76 eV. The synergistic effect of Li+, Cu2+ and La3+ dopants induced high visible light photodegradation activities against thiamethoxam pesticide and brilliant green dye with measured efficiencies of 92 and 96 % after reaction time of 50 min, respectively. The high stability and mineralization properties of (Li, Cu, La) modified ZnO catalyst leads to the conclusion that this composition has a potential use in wastewater treatment.

Topological magnons in a non-coplanar magnetic order on the triangular lattice

The bond-dependent Kitaev interaction K is familiar in the effective spin model of transition metal compounds with octahedral ligands. In this work, we find a peculiar non-coplanar magnetic order can be formed with the help of K and next-nearest neighbor Heisenberg coupling J 2 on the triangular lattice. It can be seen as a miniature version of skyrmion crystal, since it has nine spins and an integer topological number in a magnetic unit cell. The magnon excitations in such an order are studied by the linear spin-wave theory. Of note is that the change in the relative size of J 2 and K produces topological magnon phase transitions although the topological number remains unchanged. We also calculated the experimentally observable thermal Hall conductivity, and found that the signs of thermal Hall conductivity will change with topological phase transitions or temperature changes in certain regions.

Realization of skyrmion shift register

The big data explosion demands novel data storage technology. Among many different approaches, solitonic racetrack memory devices hold great promise for accommodating nonvolatile and low-power functionalities. As representative topological solitons, magnetic skyrmions are envisioned as potential information carriers for efficient information processing. While their advantages as memory and logic elements have been vastly exploited from theoretical perspectives, the corresponding experimental efforts are rather limited. These challenges, which are key to versatile skyrmionic devices, will be studied in this work. Through patterning concaved surface topography with designed arrays of indentations on standard Si/SiO2 substrates, we demonstrate that the resultant non-flat energy landscape could lead to the formation of hexagonal and square skyrmion lattices in Ta/CoFeB/MgO multilayers. Based on these films, one-dimensional racetrack devices are subsequently fabricated, in which a long-distance deterministic shifting of skyrmions between neighboring indentations is achieved at room temperature. Through separating the word line and the bit line, a prototype shift register device, which can sequentially generate and precisely shift complex skyrmionic data strings, is presented. The deterministic writing and long-distance shifting of skyrmionic bits can find potential applications in transformative skyrmionic memory, logic as well as the in-memory computing devices.

Lattice optimization of fiber-reinforced polymer parts fabricated by additive manufacturing: the impact of Bezier curve order on mechanical properties

PurposeLattice structures are widely used for achieving optimal topology in additive manufacturing. However, the use of different lattices in a single design can result in stress concentrations at the transition points. This study aims to investigate the influence of Bezier curves on mechanical properties during the transformation from one lattice structure to another. It specifically focuses on the transition from a hexagonal to diamond lattice, using Bezier curves of various orders.Design/methodology/approachThe curves were designed by passing them through the same control points for different orders, such as third, fifth and seventh. The samples were sliced for 3D printing, and a tensile test was conducted. Young’s modulus and energy absorption abilities were measured to compare the mechanical properties of the models created with Bezier curves for the transformation between hexagonal and diamond models.FindingsThe analysis revealed a gradual change in mechanical properties from the hexagonal to the diamond lattice. Moreover, different orders of Bezier curves exhibited varying mechanical properties during the transformation between the two lattices. As the order of the Bezier curve increased, the mechanical properties smoothly changed from the hexagonal to diamond lattice. This prevented stress concentrations or mechanical behavior mismatch caused by sudden deformations at the transitions between the curves used in the design.Originality/valueThe study’s innovative use of Bezier curves of different orders to smoothly transformation between hexagonal and diamond lattices in additive manufacturing offers a practical solution to prevent stress concentrations and mechanical inconsistencies during such design transitions.

Ultrasonication-assisted synthesis of transition metal carbide of MXene: an efficient and promising material for photocatalytic organic dyes degradation of rhodamine B and methylene blue in wastewater.

Water pollutants of non-biodegradable toxic aromatic dye including Methylene blue (MB) and Rhodamine (RhB) are extremely carcinogenic thiazines used in various industries such asleather industry, paper industry, and the dyeing industry. The presence of dyes in wastewater causes severe threats to human health that are responsible for various harmful chronic or acute diseases and also shows an adverse impact on the environment as it reduces transparency and is harmful to water microorganisms. To overcome severe issues, many traditional techniques have been used to remove toxic pollutants, but thesemethods are insufficient to remove chemically stable dyes that remain in the treated wastewater. However, the photocatalytic degradation process is an efficient approach to degrade the dye up to the maximum extent with improved efficiency. Therefore, in this work, a new class of two-dimensional (2D) transition metal carbide of Titanium Carbide (Ti3C2Tx) MXene material was used for the organic dyes degradation such as MB and RhB using a photocatalytic process. A layered structure of hexagonal lattice symmetry of Ti3C2Tx MXene was successfully synthesized from the Titanium Aluminum Carbide ofTi3AlC2 bulk phase using an exfoliation process. Further, the XRD spectrum confirms the transformation of bulk MAX phase having (002) plane at 9.2° to Ti3C2Tx MXene of (002) plane at 8.88° confirms the successful removal of Al layer from MAX phase. A smooth, transparent, thin sheet-like morphology of Ti3C2Txnanosheet sizewere found to be in the range of 70 to 150nm evaluated fromTEM images. Also,no holes or damages in the thin sheets were foundafter the treatment with strong hydrofluoric acid confirms the formationTi3C2Tx layered sheets. The synthesized Ti3C2Tx MXene possesses excellent photocatalytic activity for the degradation of dyes MB, RhB, and mixtures of MB and RhB dyes. MB dye degraded with a degradation percentage efficiency of 99.32% in 30min, while RhB dye was degraded upto98.9% in 30min. Also, experiments were conducted for degradation ofmixture of MB and RhB dyes by UV light, and the degradationpercentage efficiency were found to be 98.9% and 99.75% for mixture of MB and RhB dyein 45min, respectively. Moreover, reaction rate constant (k) was determined for each dye of MB, RhB, and mixtures of MB and RhB and was found to be 0.0215min-1 and 0.0058min-1, and for mixtures, it was 0.0020min-1 and 0.009min-1, respectively.

Barrier-free subwavelength multi-channel topological acoustic interlayer under direct resonance induction

In this paper, a new topological acoustic interlayer is proposed, which is formed by combining multi-order resonators in the form of the triangular lattice in the normal direction of the acoustic interlayer. Through the strong resonance of the resonator, the distribution of modes in the acoustic interlayer is directly induced to form a combination of modes with different topological states to support the subwavelength multi-channel lossless directional acoustic transmission in barrier-free space. Since there are no scatterers, not only can the required frequency band be directly achieved through the resonance frequency of the resonator alone, but also the background medium space in which the acoustic wave transmitting is a uniform medium, so the transmission is secret and the structure is ventilated. More importantly, there is more space in the normal direction of the barrier-free interlayer for design sub-wavelength multi-channel transmission. Furthermore, the random obstacles in interlayer do not affect the transmission under the pseudo spin modes. Finally, experimental verification is carried out. This research paves the way for the engineering application of multi-band acoustic antennas, covert communication, ventilated devices and other multi-functional devices, and will bring new enlightenment to the fields of elastic wave, light wave and electromagnetic wave.

Miracle in "White":Hexagonal Boron Nitride.

The exploration of 2D materials has captured significant attention due to their unique performances, notably focusing on graphene and hexagonal boron nitride (h-BN). Characterized by closely resembling atomic structures arranged in a honeycomb lattice, both graphene and h-BN share comparable traits, including exceptional thermal conductivity, impressive carrier mobility, and robust pi-pi interactions with organic molecules. Notably, h-BN has been extensively examined for its exceptional electrical insulating properties, inert passivation capabilities, and provision of an ideal ultraflat surface devoid of dangling bonds. These distinct attributes, contrasting with those of h-BN, such as its conductive versus insulating behavior, active versus inert nature, and absence of dangling surface bonds versus absorbent tendencies, render it a compelling material with broad application potential. Moreover, the unity of such contradictions endows h-BN with intriguing possibilities for unique applications in specific contexts. This review aims to underscore these key attributes and elucidate the intriguing contradictions inherent in current investigations of h-BN, fostering significant insights into the understanding of material properties.

Order-by-disorder and long-range interactions in the antiferromagnetic transverse-field Ising model on the triangular lattice—A perturbative point of view

We study the low-field ground-state (GS) properties of the antiferromagnetic transverse-field Ising model with long-range interactions (afLRTFIM) on the triangular lattice. We use the method of perturbative continuous unitary transformations (pCUT) to derive an effective model for the degenerate GS space of the antiferromagnetic nearest-neighbour (NN) Ising model on a finite system, by treating the transverse-field (TF) and the long-range interactions (LRI) as a perturbation. We determine a level-crossing between the gapped plain stripe phase at small TF and the gapped clock-ordered phase at intermediate TF at hc≅0.129 for α=6, N=36 spins in order three perturbation theory on the finite system. We discuss the qualitative layout of the quantum phase diagram of the afLRTFIM on the triangular lattice.

Two-Dimensional Cobalt(II) Benzoquinone Frameworks for Putative Kitaev Quantum Spin Liquid Candidates.

The realization and discovery of quantum spin liquid (QSL) candidate materials are crucial for exploring exotic quantum phenomena and applications associated with QSLs. Most existing metal-organic two-dimensional (2D) quantum spin liquid candidates have structures with spins arranged on the triangular or kagome lattices, whereas honeycomb-structured metal-organic compounds with QSL characteristics are rare. Here, we report the use of 2,5-dihydroxy-1,4-benzoquinone (X2dhbq, X = Cl, Br, H) as the linkers to construct cobalt(II) honeycomb lattices (NEt4)2[Co2(X2dhbq)3] as promising Kitaev-type QSL candidate materials. The high-spin d7 Co2+ has pseudospin-1/2 ground-state doublets, and benzoquinone-based linkers not only provide two separate superexchange pathways that create bond-dependent frustrated interactions but also allow for chemical tunability to mediate magnetic coupling. Our magnetization data show antiferromagnetic interactions between neighboring metal centers with Weiss constants from -5.1 to -8.5 K depending on the X functional group in X2dhbq linkers (X = Cl, Br, H). No magnetic transition or spin freezing could be observed down to 2 K. Low-temperature susceptibility (down to 0.3 K) and specific heat (down to 0.055 K) of (NEt4)2[Co2(H2dhbq)3] were further analyzed. Heat capacity measurements confirmed no long-range order down to 0.055 K, evidenced by the broad peak instead of the λ-like anomaly. Our results indicate that these 2D cobalt benzoquinone frameworks are promising Kitaev QSL candidates with chemical tunability through ligands that can vary the magnetic coupling and frustration.

Transition from an incommensurate spin density wave to a commensurate magnetic order in a triangular lattice compound Ho2PdAl6Ge4

Rare-earth (RE) intermetallics on a triangular lattice are promising candidates for generating interesting magnetic phases due to the complex interplay between Ruderman-Kittel-Kasuya-Yoshida (RKKY) interaction and geometrical frustration. Here we report the exotic magnetic structure of a layered compound Ho2PdAl6Ge4 with triangular lanthanide nets. Magnetization and heat capacity measurements in zero magnetic field reveal two magnetic phase transitions at TN1 = 10.8 K and TN2 = 6.0 K. Neutron powder diffraction demonstrates a commensurate antiferromagnetic phase with k1 = (0, 0, 1.5) below TN2. With increasing temperature, another incommensurate vector appears and therefore, the magnetic structure of the intermediate state is identified as an unusual incommensurate spin density wave with two propagation vectors k1 = (0, 0, 1.5) and k2 = (0.0492, 0.0492, 1.5). The magnetic moments in the intermediate state rotate continuously and form an unusual S-shaped wave arrangement in the ab plane, sharing similarities with typical cycloid and helix magnetic orders. These results identify Ho2PdAl6Ge4 as a candidate for exploring field-induced topological magnetic phases such as skyrmions, opening the way for further investigations on the family of RE2PdAl6Ge4 materials.

Elemental topological ferroelectrics and polar metals of few-layer materials

Ferroelectricity can exist in elemental phases as a result of charge transfers between atoms occupying inequivalent Wyckoff positions. We investigate the emergence of ferroelectricity in two-dimensional elemental materials with buckled honeycomb lattices. Various multibilayer structures hosting ferroelectricity are designed by stacking engineering. Ferroelectric materials candidates formed by group IV and V elements are predicted theoretically. Ultrathin Bi films show layer-stacking-dependent physical properties of ferroelectricity, topology, and metallicity. The two-bilayer Bi film with a polar stacking sequence is found to be an elemental topological ferroelectric material. Three and four bilayers Bi films with polar structures are ferroelectriclike elemental polar metals with topological nontrivial edge states. For Ge and Sn, trivial elemental polar metals are predicted. Our work reveals the possibility of designing two-dimensional elemental topological ferroelectrics and polar metals by stacking engineering. Published by the American Physical Society 2024

A network model to predict ionic transport in porous materials

Understanding the dynamics of electric-double-layer (EDL) charging in porous media is essential for advancements in next-generation energy storage devices. Due to the high computational demands of direct numerical simulations and a lack of interfacial boundary conditions for reduced-order models, the current understanding of EDL charging is limited to simple geometries. Here, we present a network model to predict EDL charging in arbitrary networks of long pores in the Debye-Hückel limit without restrictions on EDL thickness and pore radii. We demonstrate that electrolyte transport is described by Kirchhoff's laws in terms of the electrochemical potential of charge (the valence-weighted average of the ion electrochemical potentials) instead of the electric potential. By employing the equivalent circuit representation suggested by these modified Kirchhoff's laws, our methodology accurately captures the spatial and temporal dependencies of charge density and electric potential, matching results obtained from computationally intensive direct numerical simulations. Our network model provides results up to six orders of magnitude faster, enabling the efficient simulation of a triangular lattice of five thousand pores in 6 min. We employ the framework to study the impact of pore connectivity and polydispersity on electrode charging dynamics for pore networks and discuss how these factors affect the time scale, energy density, and power density of capacitive charging. The scalability and versatility of our methodology make it a rational tool for designing 3D-printed electrodes and for interpreting geometric effects on electrode impedance spectroscopy measurements.

Valency-based structural properties of gamma-sheet of boron clusters.

Boron cluster sheets are two-dimensional boron atom-based formations called borophene. They are similar to the two-dimensional sheet known as graphene, which is composed of carbon atoms arranged in a hexagonal lattice. The unique electrical, mechanical, and thermal properties of borophene make it a sought-after substance for a variety of uses, such as catalysis, energy storage, and electronics. There are two ways to manufacture borophene: chemical vapor deposition and molecular beam epitaxy. Vertex-edge valency-based topological descriptors are a great example of a molecular descriptor that provides information on the connection of atoms in a molecule. These descriptions are based on the notion that a node's value in a molecular network is the sum of the valency of those atoms that are directly connected to that node. In this article, we discussed some novel vertex-edge (ve) and edge-vertex (ev) topological descriptors and found their formulations for the boron cluster or borophene sheets. Also, we show the numerical and graphical comparison of these descriptors in this article.

Designing moiré patterns by strain

Experiments conducted on two-dimensional twisted materials have revealed a plethora of moiré patterns with different forms and shapes. The formation of these patterns is usually attributed to the presence of small strains in the samples, which typically arise during their fabrication. In this paper we find that the superlattice structure of such systems actually depends crucially on the interplay between twist and strain. For systems composed of honeycomb lattices, we show that this can lead to the formation of practically any moiré geometry, even if each lattice is only slightly distorted. As a result, we show that under strain the moiré Brillouin zone is not a stretched irregular hexagon, but rather a primitive cell that changes according to the geometry of the strained moiré vectors. We identify the conditions for the formation of hexagonal moiré patterns arising solely due to shear or biaxial strain, thus opening the possibility of engineering moiré patterns solely by strain. Moreover, we study the electronic properties in such moiré patterns and find that the strain tends to suppress the formation of the flat moiré bands, even in the strain-induced hexagonal patterns analogous to those obtained by the twist only. Our paper explains the plethora of moiré patterns observed in experiments, and provides a solid theoretical foundation from which one can design moiré patterns by strain. Published by the American Physical Society 2024

Exotic topological phenomena in chiral superconducting states on doped quantum spin Hall insulators with honeycomb lattices

Exotic topological phenomena in chiral superconducting states on doped quantum spin Hall insulators with honeycomb lattices