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Flat bands in twisted bilayer transition metal dichalcogenides

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 Added by Brian LeRoy
 Publication date 2019
  fields Physics
and research's language is English




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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.



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Monolayer graphene placed with a twist on top of AB-stacked bilayer graphene hosts topological flat bands in a wide range of twist angles. The dispersion of these bands and gaps between them can be efficiently controlled by a perpendicular electric field, which induces topological transitions accompanied by changes of the Chern numbers. In the regime where the applied electric field induces gaps between the flat bands, we find a relatively uniform distribution of the Berry curvature. Consequently, interaction-induced valley- and/or spin-polarized states at integer filling factors are energetically favorable. In particular, we predict a quantum anomalous Hall state at filling factor $ u=1$ for a range of twist angles $1^circ<theta <1.4^circ$. Furthermore, to characterize the response of the system to magnetic field, we computed the Hofstadter butterfly and the Wannier plot, which can be used to probe the dispersion and topology of the flat bands in this material.
Experimental advances in the fabrication and characterization of few-layer materials stacked at a relative twist of small angle have recently shown the emergence of flat energy bands. As a consequence electron interactions become relevant, providing inroads into the physics of strongly correlated two-dimensional systems. Here, we demonstrate by combining large scale ab initio simulations with numerically exact strong correlation approaches that an effective one-dimensional system emerges upon stacking two twisted sheets of GeSe, in marked contrast to all Moire systems studied so far. This not only allows to study the necessarily collective nature of excitations in one dimension, but can also serve as a promising platform to scrutinize the crossover from two to one dimension in a controlled setup by varying the twist angle, which provides an intriguing benchmark with respect to theory. We thus establish twisted bilayer GeSe as an intriguing inroad into the strongly correlated physics of low-dimensional systems.
218 - R. Pons , A. Mielke , 2020
We discuss twisted bilayer graphene (TBG) based on a theorem of flat band ferromagnetism put forward by Mielke and Tasaki. According to this theorem, ferromagnetism occurs if the single particle density matrix of the flat band states is irreducible and we argue that this result can be applied to the quasi-flat bands of TBG that emerge around the charge-neutrality point for twist angles around the magic angle $thetasim1.05^circ$. We show that the density matrix is irreducible in this case, thus predicting a ferromagnetic ground state for neutral TBG ($n=0$). We then show that the theorem can also be applied only to the flat conduction or valence bands, if the substrate induces a single-particle gap at charge neutrality. Also in this case, the corresponding density matrix turns out to be irreducible, leading to ferromagnetism at half filling ($n=pm2$).
Transport experiments in twisted bilayer graphene revealed multiple superconducting domes separated by correlated insulating states. These properties are generally associated with strongly correlated states in a flat mini-band of the hexagonal moire superlattice as it was predicted by band structure calculations. Evidence for such a flat band comes from local tunneling spectroscopy and electronic compressibility measurements, reporting two or more sharp peaks in the density of states that may be associated with closely spaced van Hove singularities. Direct momentum resolved measurements proved difficult though. Here, we combine different imaging techniques and angle resolved photoemission with simultaneous real and momentum space resolution (nano-ARPES) to directly map the band dispersion in twisted bilayer graphene devices near charge neutrality. Our experiments reveal large areas with homogeneous twist angle that support a flat band with spectral weight that is highly localized in momentum space. The flat band is separated from the dispersive Dirac bands which show multiple moire hybridization gaps. These data establish the salient features of the twisted bilayer graphene band structure.
Strain-induced lattice mismatch leads to moir{e} patterns in homobilayer transition metal dichalcogenides (TMDs). We investigate the structural and electronic properties of such strained moir{e} patterns in TMD homobilayers. The moir{e} patterns in strained TMDs consist of several stacking domains which are separated by tensile solitons. Relaxation of these systems distributes the strain unevenly in the moir{e} superlattice, with the maximum strain energy concentrating at the highest energy stackings. The order parameter distribution shows the formation of aster topological defects at the same sites. In contrast, twisted TMDs host shear solitons at the domain walls, and the order parameter distribution in these systems shows the formation of vortex defects. The strained moir{e} systems also show the emergence of several well-separated flat bands at both the valence and conduction band edges, and we observe a significant reduction in the band gap. The flat bands in these strained moir{e} superlattices provide platforms for studying the Hubbard model on a triangular lattice as well as the ionic Hubbard model on a honeycomb lattice. Furthermore, we study the localization of the wave functions corresponding to these flat bands. The wave functions localize at different stackings compared to twisted TMDs, and our results are in excellent agreement with recent spectroscopic experiments [1].
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