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[NanoScience and Technology] Silicene (Prediction, Synthesis, Application) || Optical Properties of Silicene and Related Materials from First Principles
摘要： Slightly buckled, graphene-like honeycomb crystals made by silicon, silicene, or by other group-IV elements such as germanene and stanene represent atomically thin films, i.e., two-dimensional (2D) systems. The theoretical description of their optical properties suffers from three difficulties, (i) a thickness much smaller than the wavelength of light, (ii) their common modeling by superlattice arrangements with sufficiently large layer distances, and (iii) the inclusion of many-body effects. Here, the solutions of all problems are discussed. (i) The optical response of an individual honeycomb crystal is described by a tensor of 2D optical conductivities or dielectric functions, which are related to the optical response of the corresponding superlattice. (ii) The influence of such a sheet crystal on the transmittance, reflectance and absorbance of a layer system is described. (iii) Excitonic and quasiparticle effects are demonstrated to widely cancel each other. Silicene sheets are investigated in detail. As a consequence of the linear bands and Dirac cones the low-frequency absorbance is defined by the Sommerfeld finestructure constant. Van Hove singularities represented by critical points in the interband structure are identified at higher photon energies. Clear chemical trends along the row C → Si → Ge → Sn are derived. The influence of multiple layers is studied for the cases of bilayer silicene and graphene.
关键词： silicene,optical properties,many-body effects,two-dimensional materials,first principles,Van Hove singularities,stanene,Dirac cones,germanene
更新于2025-09-23 15:21:21
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[NanoScience and Technology] Silicene (Prediction, Synthesis, Application) || Si Nanoribbons: From 1D to 3D Nanostructures
摘要： In this chapter we give an overview on the theoretical and experimental investigations of one-dimensional (1D), two-dimensional (2D) and three-dimensional (3D) Si nanoribbons (SiNRs) formed on the anisotropic Ag(110) substrate surface. We start by introducing briefly free-standing silicene, a silicon layer with Si atoms arranged in honeycomb lattice, with hexagonal Si-rings as structural units. These hexagonal Si units are subsequently discussed as possible candidates to explain the atomic arrangement of the experimentally synthesized Si nanoribbons on Ag(110). This interpretation is supported by properties such as the presence of the 1D projection of the π and π* bands, forming the so-called “Dirac cones” at the K points of the Brillouin zone, the sp2-like nature of the Si valence orbitals, and the strong resistance against oxidation. Besides these results, the atomic structure as well as the origin of the electronic properties of these Si nanoribbons are still controversially debated in the literature. We address this discussion in the last part of the chapter before summarizing it.
关键词： Si nanoribbons,oxidation resistance,silicene,Ag(110) substrate,Dirac cones,sp2 hybridization
更新于2025-09-23 15:21:21
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-point dependent electromagnetic beam propagation in a graphenelike triangular metallic photonic structure
摘要： We study the electromagnetic wave propagation in a graphenelike triangular metallic photonic structure and show that, associated to trigonally warped Dirac cones, the transport properties resulting from an incident beam at the armchair edge display drastically different behaviors as compared to the results obtained for other analogous systems. Namely, at K point, only the center beam associated to the lower Dirac cone and the side beams to the upper cone and, at K (cid:2) point, only the center beam associated to the lower cone display signi?cant intensities. The other expected beams are all strongly inhibited. This can be related to the metallic nature of the structure, where the low frequency electromagnetic bands are formed by local resonance modes con?ned inside the structural units. A propagating wave should follow the structure local patterns that govern its ?eld distribution, whose symmetry properties determine its excitation by an incident wave.
关键词： graphenelike triangular metallic photonic structure,trigonal warping,armchair edge,electromagnetic wave propagation,Dirac cones
更新于2025-09-12 10:27:22
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Geometrically navigating topological plate modes around gentle and sharp bends
摘要： Predictive theory to geometrically engineer devices and materials in continuum systems to have desired topological-like effects is developed here by bridging the gap between quantum and continuum mechanical descriptions. A structured elastic plate, a bosoniclike system in the language of quantum mechanics, is shown to exhibit topological valley modes despite the system having no direct physical connection to quantum effects. We emphasize a predictive, first-principles, approach, the strength of which is demonstrated by the ability to design well-defined broadband edge states, resistant to backscatter, using geometric differences; the mechanism underlying energy transfer around gentle and sharp corners is described. Using perturbation methods and group theory, several distinct cases of symmetry-induced Dirac cones, which when gapped yield nontrivial band gaps, are identified and classified. The propagative behavior of the edge states around gentle or sharp bends depends strongly upon the symmetry class of the bulk media and we illustrate this via numerical simulations.
关键词： group theory,valley Hall effect,Dirac cones,topological plate modes,elastic plates
更新于2025-09-11 14:15:04