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arXiv:2409.07935 · Physica E Low-dimensional Systems and Nanostructures

Capturing magic angles in twisted bilayer graphene from information theory markers

Manuel Calixto, Alberto Mayorgas, Octavio Castaños

Published Feb 12, 2025• 3 citations
arXivHTMLPDF

Abstract

Zero energy eigenstates ψ 0 ( θ ) of the twisted bilayer graphene Hamiltonian at the Dirac point show a high sensitivity to the twist angle θ near the magic angles where the effective Fermi velocity vanishes. We use information theory markers, like fidelity-susceptibility and entanglement entropy of the reduced density matrix to the layer sector, to capture this quantum criticality of zero modes at magic twist angles. • This article contributes to unravel the magic behind the electronic properties and exotic quantum states of twisted bilayer graphene. • The quantum criticality of zero modes at magic twist angles is revealed by fidelity and entanglement measures, as an alternative complement to the usual Fermi velocity, conductivity and band flattening characteristics. • We provide plots of fidelity, entanglement and interlayer hopping probabilities of conduction and valence zero modes as a function of the twist angle, where magic angles are conspicuous.

DOI
10.1016/j.physe.2025.116199

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Zero energy eigenstates ψ 0 ( θ ) of the twisted bilayer graphene Hamiltonian at the Dirac point show a high sensitivity to the twist angle θ near the magic angles where the effective Fermi velocity vanishes. We use information theory markers, like fidelity-susceptibility and entanglement entropy of the reduced density matrix to the layer sector, to capture this quantum criticality of zero modes at magic twist angles. • This article contributes to unravel the magic behind the electronic properties and exotic quantum states of twisted bilayer graphene. • The quantum criticality of zero modes at magic twist angles is revealed by fidelity and entanglement measures, as an alternative complement to the usual Fermi velocity, conductivity and band flattening characteristics. • We provide plots of fidelity, entanglement and interlayer hopping probabilities of conduction and valence zero modes as a function of the twist angle, where magic angles are conspicuous.
Abstract One of the most remarkable theoretical findings in magic angle twisted bilayer graphene (TBG) is the emergence of ferromagnetic Slater determinants as exact ground states for the interacting Hamiltonian at the chiral limit. This discovery provides an explanation for the correlated insulating phase which has been experimentally observed at half filling. This work is the first mathematical study of interacting models in magic angle graphene systems. These include not only TBG but also TBG-like systems featuring four flat bands per valley, and twisted trilayer graphene systems with equal twist angles. We identify symmetries of the chiral limit of the Bistritzer-MacDonald Hamiltonian that are responsible for characterizing the Hartree-Fock ground states as zero energy many-body ground states. Furthermore, for a general class of Hamiltonian, we establish criteria that the ferromagnetic Slater determinants are the unique ground states within the class of uniformly half-filled, translation invariant Slater determinants. We then demonstrate that these criteria can be explicitly verified for TBG and TBG-like systems at the chiral limit, using properties of Jacobi- θ{\theta }θ θ and Weierstrass- ℘{\wp }℘ ℘ functions.
Abstract Breakthroughs in two-dimensional van der Waals heterostructures have revealed that twisting creates a moiré pattern that quenches the kinetic energy of electrons, allowing for exotic many-body states. We show that cold atomic, trapped ion, and metamaterial systems can emulate the effects of a twist in many models from one to three dimensions. Further, we demonstrate at larger angles (and argue at smaller angles) that by considering incommensurate effects, the magic-angle effect becomes a single-particle quantum phase transition (including in a model for twisted bilayer graphene in the chiral limit). We call these models “magic-angle semimetals”. Each contains nodes in the band structure and an incommensurate modulation. At magic-angle criticality, we report a nonanalytic density of states, flat bands, multifractal wave functions that Anderson delocalize in momentum space, and an essentially divergent effective interaction scale. As a particular example, we discuss how to observe this effect in an ultracold Fermi gas.
We study the single- and many-particle properties of a two-leg ladder model threaded by a flux with the legs coupled by a spatially varying term. Although a priori unrelated to twisted bilayer graphene (TBG), the model is found to have striking similarities: a quasi-flat low-energy band emerges with characteristics similar to that of magic angle TBG. We study the effect of interparticle interaction in our model using the density matrix renormalization group and find that when the band is quasi-flat, the ground state is a ferromagnetic Mott insulator. As the band becomes more dispersive, the system undergoes a ferromagnetic to antiferromagnetic transition. We discuss how our model is relevant not only to magic-angle physics in TBG, but also in the larger context of one-dimensional correlations and magnetism.
Determining the nature of charge carriers is a fundamental goal in the study of strongly correlated electron systems. Here, we employ the continuous-field momentum-space quantum Monte Carlo method to reveal exotic "Dirac trion" excitations in the finite-temperature normal state of twisted bilayer graphene. While the ground state is a symmetry-breaking insulator with gapped (∼\sim∼ 20 meV) electron-like excitations, we show that a small temperature (∼\sim∼ 3 meV), well below the interaction scale, drives the system into a strongly fluctuating symmetric normal state. We demonstrate that this normal state hosts gapless excitations consisting of three-particle bound states, two electrons and one hole, that are exactly orthogonal to the higher-energy electrons at the zero-momentum gapless point. These Dirac trions have the remarkable property of being arbitrarily light despite being composed of heavy constituents, and their spectra can be easily tuned by varying the twist angle and interlayer hopping strength. Our unbiased quantum many-body computation sheds light on the Dirac trions in a projected correlated flat-band setting and opens the door for further investigation of many-body excitations in strongly correlated topological bands beyond Landau levels.
The rich phenomenology of twisted bilayer graphene (TBG) near the magic angle is believed to arise from electron correlations in topological flat bands.An unbiased approach to this problem is highly desirable, but also particularly challenging, given the multiple electron flavors, the topological obstruction to defining tight-binding models, and the long-ranged Coulomb interactions.While numerical simulations of realistic models have thus far been confined to zero temperature, typically excluding some spin or valley species, analytic progress has relied on fixed point models away from the realistic limit.Here, we present unbiased Monte Carlo simulations of realistic models of magic-angle TBG at charge neutrality.We establish the absence of a sign problem for this model in a momentumspace approach and describe a computationally tractable formulation that applies even on breaking chiral symmetry and including band dispersion.Our results include (i) the emergence of an insulating Kramers intervalley coherent ground state in competition with a correlated semimetal phase, (ii) detailed temperature evolution of order parameters and electronic spectral functions that reveal a "pseudogap" regime, in which gap features are established at a higher temperature than the onset of order, and (iii) predictions for electronic tunneling spectra and their evolution with temperature.Our results pave the way towards uncovering the physics of magic-angle graphene through exact simulations of over a hundred electrons across a wide temperature range.
In recent years, flat electronic bands in twisted bilayer graphene (TBG) have attracted significant attention due to their intriguing topological properties, extremely slow electron velocities, and enhanced density of states. Extending twisted bilayer systems to new configurations is highly desirable, as it offers promising opportunities to explore flat bands beyond TBG. Here, we study both topological and trivial flat bands in a twisted bilayer honeycomb lattice for ultracold atoms and present the evolution of the flat bands with different interlayer coupling strength (ICS). Our results demonstrate that an isolated topological flat band can emerge at the Dirac-point energy for a specific value of weak ICS, referred to as the ``critical coupling.'' This occurs over a wide range of twist angles, surpassing the limits of the magic angle in TBG systems. When the ICS is slightly increased beyond the critical coupling value, the topological flat band exhibits degenerate band crossings with both the upper and lower adjacent bands at the high-symmetry ${\mathrm{\ensuremath{\Gamma}}}_{s}$ point. As the ICS is further increased into the strong coupling regime, trivial flat bands arise around Dirac-point energy. Meanwhile, more trivial flat bands appear, extending from the lowest to higher energy bands, and remain flat as the ICS increases. The topological properties of the flat bands are studied through the winding pattern of the Wilson loop spectrum. Our research provides deeper insights into the formation of flat bands in ultracold atoms with highly controllable twisted bilayer optical lattices, and may contribute to the discovery of new strongly correlated states of matter.