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Origin and Evolution of Ultraflatbands in Twisted Bilayer Transition Metal Dichalcogenides: Realization of Triangular Quantum Dot Array

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 Added by Mit H. Naik
 Publication date 2019
  fields Physics
and research's language is English




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Using a multiscale computational approach, we probe the origin and evolution of ultraflatbands in moire superlattices of twisted bilayer MoS$_2$, a prototypical transition metal dichalcogenide. Unlike twisted bilayer graphene, we find no unique magic angles in twisted bilayer MoS$_2$ for flatband formation. Ultraflatbands form at the valence band edge for twist angles ($theta$) close to 0$^circ$ and at both the valence and conduction band edges for $theta$ close to 60$^circ$, and have distinct origins. For$ theta$ close to 0$^circ$, inhomogeneous hybridization in the reconstructed moire superlattice is sufficient to explain the formation of flatbands. For $theta$ close to 60$^circ$, additionally, local strains cause the formation of modulating triangular potential wells such that electrons and holes are spatially separated. This leads to multiple energy-separated ultraflatbands at the band edges closely resembling eigenfunctions of a quantum particle in an equilateral triangle well. Twisted bilayer transition metal dichalcogenides are thus suitable candidates for the realisation of ordered quantum dot array.



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Ultraflatbands that have been theoretically and experimentally detected in a bunch of van der Waals stacked materials showing some peculiar properties, for instance, highly localized electronic states and enhanced electron-electron interactions. In this Letter, using an accurate tight-binding model, we study the formation and evolution of ultraflatbands in transition metal dichalcogenides (TMDCs) under low rotation angles. We find that, unlike in twisted bilayer graphene, ultraflatbands exist in TMDCs for almost any small twist angles and their wave function becomes more localized when the rotation angle decreases. Lattice relaxation, pressure and local deformation can tune the width of the flatbands, as well as their localization. Furthermore, we investigate the effect of spin-orbit coupling on the flatbands and discover spin/orbital/valley locking at the minimum of the conduction band at the K point of the Brillouin zone. The ultraflatbands found in TMDCs with a range of rotation angle below $7^circ$, may provide an ideal platform to study strongly correlated states.
Van der Waals (vdW) materials have greatly expanded our design space of heterostructures by allowing individual layers to be stacked at non-equilibrium configurations, for example via control of the twist angle. Such heterostructures not only combine characteristics of the individual building blocks, but can also exhibit emergent physical properties absent in the parent compounds through interlayer interactions. Here we report on a new family of emergent, nanometer-thick, semiconductor 2D ferroelectrics, where the individual constituents are well-studied non-ferroelectric monolayer transition metal dichalcogenides (TMDs), namely WSe2, MoSe2, WS2, and MoS2. By stacking two identical monolayer TMDs in parallel, we obtain electrically switchable rhombohedral-stacking configurations, with out-of-plane polarization that is flipped by in-plane sliding motion. Fabricating nearly-parallel stacked bilayers enables the visualization of moire ferroelectric domains as well as electric-field-induced domain wall motion with piezoelectric force microscopy (PFM). Furthermore, by using a nearby graphene electronic sensor in a ferroelectric field transistor geometry, we quantify the ferroelectric built-in interlayer potential, in good agreement with first-principles calculations. The novel semiconducting ferroelectric properties of these four new TMDs opens up the possibility of studying the interplay between ferroelectricity and their rich electric and optical properties.
In moire heterostructures, gate-tunable insulating phases driven by electronic correlations have been recently discovered. Here, we use transport measurements to characterize the gate-driven metal-insulator transitions and the metallic phase in twisted WSe$_2$ near half filling of the first moire subband. We find that the metal-insulator transition as a function of both density and displacement field is continuous. At the metal-insulator boundary, the resistivity displays strange metal behaviour at low temperature with dissipation comparable to the Planckian limit. Further into the metallic phase, Fermi-liquid behaviour is recovered at low temperature which evolves into a quantum critical fan at intermediate temperatures before eventually reaching an anomalous saturated regime near room temperature. An analysis of the residual resistivity indicates the presence of strong quantum fluctuations in the insulating phase. These results establish twisted WSe$_2$ as a new platform to study doping and bandwidth controlled metal-insulator quantum phase transitions on the triangular lattice.
The crystal structure of a material creates a periodic potential that electrons move through giving rise to the electronic band structure of the material. When two-dimensional materials are stacked, the twist angle between the layers becomes an additional degree freedom for the resulting heterostructure. As this angle changes, the electronic band structure is modified leading to the possibility of flat bands with localized states and enhanced electronic correlations. In transition metal dichalcogenides, flat bands have been theoretically predicted to occur for long moire wavelengths over a range of twist angles around 0 and 60 degrees giving much wider versatility than magic angle twisted bilayer graphene. Here we show the existence of a flat band in the electronic structure of 3{deg} and 57.5{deg} twisted bilayer WSe2 samples using scanning tunneling spectroscopy. Direct spatial mapping of wavefunctions at the flat band energy have shown that the flat bands are localized differently for 3{deg} and 57.5{deg}, in excellent agreement with first-principle density functional theory calculations.
279 - M. A. Cazalilla , H. Ochoa , 2013
We propose to engineer time-reversal-invariant topological insulators in two-dimensional (2D) crystals of transition metal dichalcogenides (TMDCs). We note that, at low doping, semiconducting TMDCs under shear strain will develop spin-polarized Landau levels residing in different valleys. We argue that gaps between Landau levels in the range of $10-100$ Kelvin are within experimental reach. In addition, we point out that a superlattice arising from a Moire pattern can lead to topologically non-trivial subbands. As a result, the edge transport becomes quantized, which can be probed in multi-terminal devices made using strained 2D crystals and/or heterostructures. The strong $d$ character of valence and conduction bands may also allow for the investigation of the effects of electron correlations on the topological phases.
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