Monolayers of transition metal dichalcogenides (TMDCs) feature exceptional optical properties that are dominated by excitons, tightly bound electron-hole pairs. Forming van der Waals heterostructures by deterministically stacking individual monolayers allows to tune various properties via choice of materials [1] and relative orientation of the layers [2, 3]. In these structures, a new type of exciton emerges, where electron and hole are spatially separated. These interlayer excitons [4, 5, 6] allow exploration of many-body quantum phenomena [7, 8] and are ideally suited for valleytronic applications [9]. Mostly, a basic model of fully spatially-separated electron and hole stemming from the K valleys of the monolayer Brillouin zones is applied to describe such excitons. Here, we combine photoluminescence spectroscopy and first principle calculations to expand the concept of interlayer excitons. We identify a partially charge-separated electron-hole pair in MoS 2 /WSe 2 heterostructures residing at the Γ and K valleys. We control the emission energy of this new type of momentum-space indirect, yet strongly-bound exciton by variation of the relative orientation of the layers. These findings represent a crucial step towards the understanding and control of excitonic effects in TMDC heterostructures and devices.An optical micrograph of a representative MoS 2 /WSe 2 heterobilayer (HB), which was fabricated by deterministic transfer and stacking [10] followed by an annealing procedure, is shown *
Molybdenum disulfide bilayers with well-defined interlayer twist angle were constructed by stacking single-crystal monolayers. Varying interlayer twist angle results in strong tuning of the indirect optical transition energy and second-harmonic generation and weak tuning of direct optical transition energies and Raman mode frequencies. Electronic structure calculations show the interlayer separation changes with twist due to repulsion between sulfur atoms, resulting in shifts of the indirect optical transition energies. These results show that interlayer alignment is a crucial variable in tailoring the properties of two-dimensional heterostructures.
Based on a numerical ab initio study, we discuss a structure model for a broad boron sheet, which is the analog of a single graphite sheet, and the precursor of boron nanotubes. The sheet has linear chains of sp hybridized σ bonds lying only along its armchair direction, a high stiffness, and anisotropic bonds properties. The puckering of the sheet is explained as a mechanism to stabilize the sp σ bonds. The anisotropic bond properties of the boron sheet lead to a two-dimensional reference lattice structure, which is rectangular rather than triangular. As a consequence the chiral angles of related boron nanotubes range from 0• to 90• . Given the electronic properties of the boron sheets, we demonstrate that all of the related boron nanotubes are metallic, irrespective of their radius and chiral angle, and we also postulate the existence of helical currents in ideal chiral nanotubes. Furthermore, we show that the strain energy of boron nanotubes will depend on their radii, as well as on their chiral angles. This is a rather unique property among nanotubular systems, and it could be the basis of a different type of structure control within nanotechnology.
We critically discuss the stability of edge states and edge magnetism in
zigzag edge graphene nanoribbons (ZGNRs). We point out that magnetic edge
states might not exist in real systems, and show that there are at least three
very natural mechanisms - edge reconstruction, edge passivation, and edge
closure - which dramatically reduce the effect of edge states in ZGNRs or even
totally eliminate them. Even if systems with magnetic edge states could be
made, the intrinsic magnetism would not be stable at room temperature. Charge
doping and the presence of edge defects further destabilize the intrinsic
magnetism of such systems.Comment: 9 pages, 6 figures, 2 table
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