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Systematic construction of topological flat-band models by molecular-orbital representation

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 Added by Tomonari Mizoguchi
 Publication date 2020
  fields Physics
and research's language is English




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On the basis of the molecular-orbital representation which describes generic flat-band models, we propose a systematic way to construct a class of flat-band models with finite-range hoppings that have topological natures. In these models, the topological natures are encoded not into the flat band itself but into the dispersive bands touching the flat band. Such a band structure may become a source of exotic phenomena arising from the combination of flat bands, topology and correlations.



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We calculate correlation functions of exactly-solvable one-dimensional flat-band models by utilizing the molecular-orbital representation. The models considered in this paper have a gapped ground state with flat-band being fully occupied, even in the presence of the interaction. The remarkable feature of such models is that the correlation functions are obtained without deriving explicit forms of the flat-band wave functions. Rather, they can be calculated by using the molecular-orbitals. As a demonstration, several one-dimensional models and their correlation functions are presented.
Exotic phases of matter emerge from the interplay between strong electron interactions and non-trivial topology. Owing to their lack of dispersion at the single-particle level, systems harboring flat bands are excellent testbeds for strongly interacting physics, with twisted bilayer graphene serving as a prime example. On the other hand, existing theoretical models for obtaining flat bands in crystalline materials, such as the line-graph formalism, are often too restrictive for real-life material realizations. Here we present a generic technique for constructing perfectly flat bands from bipartite crystalline lattices. Our prescription encapsulates and generalizes the various flat band models in the literature, being applicable to systems with any orbital content, with or without spin-orbit coupling. Using Topological Quantum Chemistry, we build a complete topological classification in terms of symmetry eigenvalues of all the gapped and gapless flat bands, for all 1651 Magnetic Space Groups. In addition, we derive criteria for the existence of symmetry-protected band touching points between the flat and dispersive bands, and we identify the gapped flat bands as prime candidates for fragile topological phases. Finally, we show that the set of all (gapped and gapless) perfectly flat bands is finitely generated and construct the corresponding bases for all 1651 Shubnikov Space Groups.
In this work, we develop a systematic method of constructing flat-band models with and without band crossings. Our construction scheme utilizes the symmetry and spatial shape of a compact localized state (CLS) and also the singularity of the flat-band wave function obtained by a Fourier transform of the CLS (FT-CLS). In order to construct a flat-band model systematically using these ingredients, we first choose a CLS with a specific symmetry representation in a given lattice. Then, the singularity of FT-CLS indicates whether the resulting flat band exhibits a band crossing point or not. A tight-binding Hamiltonian with the flat band corresponding to the FT-CLS is obtained by introducing a set of basis molecular orbitals, which are orthogonal to the FT-CLS. Our construction scheme can be systematically applied to any lattice so that it provides a powerful theoretical framework to study exotic properties of both gapped and gapless flat bands arising from their wave function singularities.
Moire superlattices created by the twisted stacking of two-dimensional crystalline monolayers can host electronic bands with flat energy dispersion in which interaction among electrons is strongly enhanced. These superlattices can also create non-trivial electronic band topologies making them a platform for study of many-body topological quantum states. Among the moire systems realized to date, there are those predicted to have band structures and properties which can be controlled with a perpendicular electric field. The twisted double bilayer graphene (TDBG), where two Bernal bilayer graphene are stacked with a twist angle, is such a tunable moire system, for which partial filling of its flat band, transport studies have found correlated insulating states. Here we use gate-tuned scanning tunneling spectroscopy (GT-STS) to directly demonstrate the tunability of the band structure of TDBG with an electric field and to show spectroscopic signatures of both electronic correlations and topology for its flat band. Our spectroscopic experiments show excellent agreement with a continuum model of TDBG band structure and reveal signatures of a correlated insulator gap at partial filling of its isolated flat band. The topological properties of this flat band are probed with the application of a magnetic field, which leads to valley polarization and the splitting of Chern bands that respond strongly to the field with a large effective g-factor. Our experiments advance our understanding of the properties of TDBG and set the stage for further investigations of correlation and topology in such tunable moire systems.
Flat bands have band crossing points with other dispersive bands in many systems including the canonical flat band models in the Lieb and kagome lattices. Here we show that some of such band degeneracy points are unavoidable because of the symmetry representation (SR) of the flat band under unitary symmetry. We refer to such a band degeneracy point of flat bands as a SR-enforced band crossing. SR-enforced band crossing is distinct from the conventional band degeneracy protected by symmetry eigenvalues or topological charges in that its protection requires both specific symmetry representation and band flatness of the flat band, simultaneously. Even $n$-fold rotation $C_n$ ($n=2,3,4,6$) symmetry, which cannot protect band degeneracy without additional symmetries due to its abelian nature, can protect SR-enforced band crossings in flat band systems. In two-dimensional flat band systems with $C_n$ symmetry, when the degeneracy of a SR-enforced band crossing is lifted by a $C_n$ symmetry-preserving perturbation, we obtain a nearly flat Chern band. Our theory not only explains the origin of the band crossing points of FBs existing in various models, but also gives a strict no-go theorem for isolated FBs in a given lattice arising from the SR.
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