Formation of Degenerate Band Gaps in Layered Systems.
Ontology highlight
ABSTRACT:
SUBMITTER: Ignatov AI
PROVIDER: S-EPMC5448966 | biostudies-other | 2012 Jun
REPOSITORIES: biostudies-other
Similar Datasets
Project description:Although bulk hexagonal phases of layered semiconducting transition metal dichalcogenides (STMD) such as MoS2, WS2, WSe2 and MoSe2 exhibit indirect band gaps, a mono-layer of STMD possesses a direct band gap which could be used in the construction of novel optoelectronic devices, catalysts, sensors and valleytronic components. Unfortunately, the direct band gap only occurs for mono-layered STMD. We have found, using first principles calculations, that by alternating individual layers of different STMD (MoS2, WS2, WSe2 and MoSe2) with particular stackings, it is possible to generate direct band gap bi-layers ranging from 0.79 eV to 1.157?eV. Interestingly, in this direct band gap, electrons and holes are physically separated and localized in different layers. We foresee that the alternation of different STMD would result in the fabrication of materials with unprecedented optical and physico-chemical properties that would need further experimental and theoretical investigations.
| S-EPMC3607896 | biostudies-other
Project description:Novel metamaterial concepts can be used to economically reduce flexural vibrations in coupled pipe-rack systems. Here, we model pipe on flexible supports as periodic systems and formulate dispersion relations using Floquet-Bloch theory which is verified by a finite element model. Owing to the flexibility of the coupled system, a narrow pass band is created in low frequency regime, in contrast to the case of pipe without any rack. Two types of vibration reduction mechanisms are investigated for pipe with different supports, i.e. simple and elastic support. In order to tune the band gap behaviour, lateral localized resonators are attached at the centre of each unit cell; conversely, the lateral distributed resonators are realized with a secondary pipe existing in the system. The results reveal that both Bragg and resonance type band gaps coexist in piping systems due to the presence of spatial periodicity and local resonance. Although, the response attenuation of a coupled pipe-rack system with distributed resonators is found to be little lower than the case with the localized one, the relatively low stiffness and damping values lead to cheaper solutions. Therefore, the proposed concept of distributed resonators represents a promising application in piping, power and process industries.
| S-EPMC6952452 | biostudies-literature
Project description:The collective motion of interacting self-driven particles describes many types of coordinated dynamics and self-organisation. Prominent examples are alignment or lane formation which can be observed alongside other ordered structures and nonuniform patterns. In this article, we investigate the effects of different types of heterogeneity in a two-species self-driven particle system. We show that heterogeneity can generically initiate segregation in the motion and identify two heterogeneity mechanisms. Longitudinal lanes parallel to the direction of motion emerge when the heterogeneity statically lies in the agent characteristics (quenched disorder). While transverse bands orthogonal to the motion direction arise from dynamic heterogeneity in the interactions (annealed disorder). In both cases, non-linear transitions occur as the heterogeneity increases, from disorder to ordered states with lane or band patterns. These generic features are observed for a first and a second order motion model and different characteristic parameters related to particle speed and size. Simulation results show that the collective dynamics occur in relatively short time intervals, persist stationary, and are partly robust against random perturbations.
| S-EPMC8934355 | biostudies-literature
Project description:Synthetic dimensions based on particles' internal degrees of freedom, such as frequency, spatial modes and arrival time, have attracted significant attention. They offer ideal large-scale lattices to simulate nontrivial topological phenomena. Exploring more synthetic dimensions is one of the paths toward higher dimensional physics. In this work, we design and experimentally control the coupling among synthetic dimensions consisting of the intrinsic photonic orbital angular momentum and spin angular momentum degrees of freedom in a degenerate optical resonant cavity, which generates a periodically driven spin-orbital coupling system. We directly characterize the system's properties, including the density of states, energy band structures and topological windings, through the transmission intensity measurements. Our work demonstrates a mechanism for exploring the spatial modes of twisted photons as the synthetic dimension, which paves the way to design rich topological physics in a highly compact platform.
| S-EPMC9018724 | biostudies-literature
Project description:We show that it is possible to construct foam-based heterostructures with complete photonic band gaps. Three-dimensional foams are promising candidates for the self-organization of large photonic networks with combinations of physical characteristics that may be useful for applications. The largest band gap found is based on 3D Weaire-Phelan foam, a structure that was originally introduced as a solution to the Kelvin problem of finding the 3D tessellation composed of equal-volume cells that has the least surface area. The photonic band gap has a maximal size of 16.9% (at a volume fraction of 21.6% for a dielectric contrast [Formula: see text]) and a high degree of isotropy, properties that are advantageous in designing photonic waveguides and circuits. We also present results for 2 other foam-based heterostructures based on Kelvin and C15 foams that have somewhat smaller but still significant band gaps.
| S-EPMC6876150 | biostudies-literature
Project description:With their broad range of properties, ABO3 transition metal perovskite oxides have long served as a platform for device applications and as a testing bed for different condensed matter theories. Their insulating character and structural distortions are often ascribed to dynamical electronic correlations within a universal, symmetry-conserving paradigm. This view restricts predictive theory to complex computational schemes, going beyond density functional theory (DFT). Here, we show that, if one allows symmetry-breaking energy-lowering crystal symmetry reductions and electronic instabilities within DFT, one successfully and systematically recovers the trends in the observed band gaps, magnetic moments, type of magnetic and crystallographic ground state, bond disproportionation and ligand hole effects, Mott vs. charge transfer insulator behaviors, and the amplitude of structural deformation modes including Jahn-Teller in low temperature spin-ordered and high temperature disordered paramagnetic phases. We then provide a classification of the four mechanisms of gap formation and establish DFT as a reliable base platform to study the ground state properties in complex oxides.
| S-EPMC6458163 | biostudies-literature
Project description:In this paper gradient based topology optimization (TO) is used to discover 3-D phononic structures that exhibit ultra-wide normalized all-angle all-mode band gaps. The challenging computational task of repeated 3-D phononic band-structure evaluations is accomplished by a combination of a fast mixed variational eigenvalue solver and distributed Graphic Processing Unit (GPU) parallel computations. The TO algorithm utilizes the material distribution-based approach and a gradient-based optimizer. The design sensitivity for the mixed variational eigenvalue problem is derived using the adjoint method and is implemented through highly efficient vectorization techniques. We present optimized results for two-material simple cubic (SC), body centered cubic (BCC), and face centered cubic (FCC) crystal structures and show that in each of these cases different initial designs converge to single inclusion network topologies within their corresponding primitive cells. The optimized results show that large phononic stop bands for bulk wave propagation can be achieved at lower than close packed spherical configurations leading to lighter unit cells. For tungsten carbide - epoxy crystals we identify all angle all mode normalized stop bands exceeding 100%, which is larger than what is possible with only spherical inclusions.
| S-EPMC5324071 | biostudies-literature
Project description:Plasmonics currently faces the problem of seemingly inevitable optical losses occurring in the metallic components that challenges the implementation of essentially any application. In this work, we show that Ohmic losses are reduced in certain layered metals, such as the transition metal dichalcogenide TaS2, due to an extraordinarily small density of states for scattering in the near-IR originating from their special electronic band structure. On the basis of this observation, we propose a new class of band structure engineered van der Waals layered metals composed of hexagonal transition metal chalcogenide-halide layers with greatly suppressed intrinsic losses. Using first-principles calculations, we show that the suppression of optical losses lead to improved performance for thin-film waveguiding and transformation optics.
| S-EPMC5413982 | biostudies-literature
Project description:Recent progress in preparing well-controlled two-dimensional van der Waals heterojunctions has opened up a new frontier in materials physics. Here we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed on a hexagonal boron nitride substrate, demonstrating that they are produced by an interesting interplay between structural and electronic properties, including electronic many-body exchange interactions. Our theory is able to explain the observed gap behaviour by accounting first for the structural relaxation of graphene's carbon atoms when placed on a boron nitride substrate, and then for the influence of the substrate on low-energy ?-electrons located at relaxed carbon atom sites. The methods we employ can be applied to many other van der Waals heterojunctions.
| S-EPMC4346636 | biostudies-literature
Project description:This paper presents very large complete band gaps at low audible frequency ranges tailored by gradient-based design optimizations of periodic two- and three-dimensional lattices. From the given various lattice topologies, we proceed to create and enlarge band gap properties through controlling neutral axis configuration and cross-section thickness of beam structures, while retaining the periodicity and size of the unit cell. Beam neutral axis configuration and cross-section thickness are parameterized by higher order B-spline basis functions within the isogeometric analysis framework, and controlled by an optimization algorithm using adjoint sensitivity. Our optimal curved designs show much more enhanced wave attenuation properties at audible low frequency region than previously reported straight or simple undulated geometries. Results of harmonic response analyses of beam structures consisting of a number of unit cells demonstrate the validity of the optimal designs. A plane wave propagation in infinite periodic lattice is analyzed within a unit cell using the Bloch periodic boundary condition.
| S-EPMC6620436 | biostudies-literature