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Existing Quantum Monte Carlo studies have investigated the properties of fermions on a Lieb (CuO$_2$) lattice interacting with an on-site, or near-neighbor electron-electron coupling. Attention has focused on the interplay of such interactions with the macroscopic degeneracy of local zero energy modes, from which Bloch states can be formed to produce a flat band in which energy is independent of momentum. The resulting high density of states, in combination with the Stoner criterion, suggests that there should be pronounced instabilities to ordered phases. Indeed, a theorem by Lieb rigorously establishes the existence of ferrimagnetic order. Here we study the charge density wave phases induced by electron-phonon coupling on the Lieb lattice, as opposed to previous work on electron-electron interactions. Our key result is the demonstration of charge density wave (CDW) phases at one-third and two-thirds fillings, characterized by long-range density density correlations between doubly occupied sites on the minority or majority sublattice, and an accompanying gap. We also compute the transition temperature to the ordered phase as a function of the electron-phonon coupling.
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Electronic flat bands represent a paradigmatic platform to realize strongly correlated matter due to their associated divergent density of states. In common instances, including electron-electron interactions leads to magnetic instabilities for repulsive interactions and superconductivity for attractive interactions. Nevertheless, interactions of Kondo nature in flat band systems have remained relatively unexplored. Here we address the emergence of interacting states mediated by Kondo lattice coupled to a flat band system. Combining dynamical mean-field theory and tensor networks methods to solve flat band Kondo lattice models in one and two dimensions, we show the emergence of a robust underscreened regime leading to a magnetically ordered state in the flat band. Our results put forward flat band Kondo lattice models as a platform to explore the genuine interplay between flat band physics and many-body Kondo screening.
The physics of strongly correlated quantum particles within a flat band was originally explored as a route to itinerant ferromagnetism and, indeed, a celebrated theorem by Lieb rigorously establishes that the ground state of the repulsive Hubbard model on a bipartite lattice with unequal number of sites in each sublattice must have nonzero spin S at half-filling. Recently, there has been interest in Lieb geometries due to the possibility of novel topological insulator, nematic, and Bose-Einstein condensed (BEC) phases. In this paper, we extend the understanding of the attractive Hubbard model on the Lieb lattice by using Determinant Quantum Monte Carlo to study real space charge and pair correlation functions not addressed by the Lieb theorems.
In the vicinity of the magic angle in twisted bilayer graphene (TBG), the two low-energy van Hove singularities (VHSs) become exceedingly narrow1-10 and many exotic correlated states, such as superconductivity, ferromagnetism, and topological phases, are observed11-16. Heterostrain, which is almost unavoidable in the TBG, can modify its single-particle band structure and lead to novel properties of the TBG that have never been considered so far. Here, we show that heterostrain in a TBG near the magic angle generates a new zero-energy flat band between the two VHSs. Doping the TBG to partially fill the zero-energy flat band, we observe a correlation-induced gap of about 10 meV that splits the flat band. By applying perpendicular magnetic fields, a large and linear response of the gap to magnetic fields is observed, attributing to the emergence of large orbital magnetic moments in the TBG when valley degeneracy of the flat band is lifted by electron-electron interactions. The orbital magnetic moment per moire supercell is measured as about 15 uB in the TBG.
Localized magnons states, due to flat bands in the spectrum, is an intensely studied phenomenon and can be found in many frustrated magnets of different spatial dimensionality. The presence of Dzyaloshinskii-Moriya (DM) interactions may change radically the behavior in such systems. In this context, we study a paradigmatic example of a one-dimensional frustrated antiferromagnet, the sawtooth chain in the presence of DM interactions. Using both path integrals methods and numerical Density Matrix Renormalization Group, we revisit the physics of localized magnons and determine the consequences of the DM interaction on the ground state. We have studied the spin current behavior, finding three different regimes. First, a Luttinger-liquid regime where the spin current shows a step behavior as a function of parameter $D$, at a low magnetic field. Increasing the magnetic field, the system is in the Meissner phase at the $m = 1/2$ plateau, where the spin current is proportional to the DM parameter. Finally, further increasing the magnetic field and for finite $D$ there is a small stiffness regime where the spin current shows, at fixed magnetization, a jump to large values at $D = 0$, a phenomenon also due to the flat band.
Electron-phonon ($e$-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons and metal-insulator transitions. First-principles approaches enable accurate calculations of $e$-ph interactions in a wide range of solids. However, they remain an open challenge in correlated electron systems (CES), where density functional theory often fails to describe the ground state. Therefore reliable $e$-ph calculations remain out of reach for many transition metal oxides, high-temperature superconductors, Mott insulators, planetary materials and multiferroics. Here we show first-principles calculations of $e$-ph interactions in CES, using the framework of Hubbard-corrected density functional theory (DFT+$U$ ) and its linear response extension (DFPT+$U$), which can describe the electronic structure and lattice dynamics of many CES. We showcase the accuracy of this approach for a prototypical Mott system, CoO, carrying out a detailed investigation of its $e$-ph interactions and electron spectral functions. While standard DFPT gives unphysically divergent and short-ranged $e$-ph interactions, DFPT+$U$ is shown to remove the divergences and properly account for the long-range Frohlich interaction, allowing us to model polaron effects in a Mott insulator. Our work establishes a broadly applicable and affordable approach for quantitative studies of e-ph interactions in CES, a novel theoretical tool to interpret experiments in this broad class of materials.
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