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Flat bands in magic-angle twisted bilayer graphene serve as the arena where exotic correlation physics unfolds. Previous studies have shown that phonons, through mediating an effective electron-electron interaction, can play a crucial role in determining various electronic phases. In this study, we project the full electron-phonon coupling vertex, derived from microscopic tight-binding lattice calculations, onto the basis of the topological heavy fermion model [Song and Bernevig, PRL 129, 047601 (2022)], and identify the significance of each phonon mode. With phonon fields integrated out, an on-site anti-Hund's interaction $\hat{H}_{\rm A}$ on the moir\'e-scale local $f$-orbitals is obtained, with strengths 1 to 4 meV. We solve the phonon-induced multiplet splittings, and then elaborate on phonon-favored symmetry-breaking orders at even-integer fillings. Through systematic self-consistent Hartree-Fock calculations, we uncover a tight competition between $\Gamma$-phonon-favored orbital orders, $K$-phonon-favored inter-valley coherent orders, and the kinetic and Coulomb-favored orders. A Hund's interaction $\hat{H}_{\rm H}$ with strengths 1 to 3 meV, which originates from the carbon atom Hubbard, and partly counteracts the effect of $\hat{H}_{\rm A}$, is also discussed. In the end, we explore the possibility of finding an exotic Dirac semi-metal at the charge-neutrality point which is formed solely by $c$-electrons, while $f$-impurities exhibit a symmetric Mott gap by forming non-degenerate singlets under $\hat{H}_{\rm A,H}$. Experimental features that distinguish such a state are discussed.

The electric resistivity is examined in the constrained Hilbert space of a doped Mott insulator, which is dictated by a non-Ioffe-Larkin composition rule due to the underlying mutual Chern-Simons topological gauge structure. In the low-temperature pseudogap phase, where holons remain condensed while spinons proliferate, the charge transport is governed by a chiral spinon excitation, comprising a bosonic spin-$1/2$ at the core of a supercurrent vortex. It leads to a vanishing resistivity with the "confinement" of the spinons in the superconducting phase but a low-$T$ divergence of the resistivity once the spinon confinement is disrupted by external magnetic fields. In the latter, the chiral spinons will generate a Hall number $n_H =$ doping concentration $\delta$ and a Nernst effect to signal an underlying long-range entanglement between the charge and spin degrees of freedom. Their presence is further reflected in thermodynamic quantities such as specific heat and spin susceptibility. Finally, in the high-temperature spin-disordered phase, it is shown that the holons exhibit a linear-$T$ resistivity by scattering with the spinons acting as free local moments, which generate randomized gauge fluxes as perceived by the charge degree of freedom., Comment: 6+6 pages, 6 figures

Topologically trivial insulators can be classified into atomic insulators (AIs) and obstructed atomic insulators (OAIs) depending on whether the Wannier charge centers are localized or not at spatial positions occupied by atoms. An OAI can possess unusual properties such as surface states along certain crystalline surfaces, which advantageously appear in materials with much larger bulk energy gap than topological insulators, making them more attractive for potential applications. In this work, we show that a well-known crystal, silicon (Si) is a model OAI, which naturally explains some of Si's unusual properties such as its famous (111) surface states. On this surface, using angle resolved photoemission spectroscopy (ARPES), we reveal sharp quasi-1D massive Dirac line dispersions; we also observe, using scanning tunneling microscopy/spectroscopy (STM/STS), topological solitons at the interface of the two atomic chains. Remarkably, we show that the different chain domains can be reversibly switched at the nanometer scale, suggesting the application potential in ultra-high density storage devices.

Potential wells are employed to constrain quantum particles into forming discrete energy levels, acting as artificial few-level systems. In contrast, an anti-parity-time ($\mathcal{PT}$) symmetric system can have a single pair of real energy levels, while all the remaining levels are unstable due to the negative imaginary part of the energy. In this work, we investigate the formation of bound states in a tight-binding chain induced by a harmonic imaginary potential. Exact solutions show that the real parts of energy levels are equidistant, while the imaginary parts are semi-negative definite and equidistant. This allows for the formation of an effective two-level system. For a given initial state with a wide range of profiles, the evolved state always converges to a superposition of two stable eigenstates. In addition, these two states are orthogonal under the Dirac inner product and can be mutually switched by applying a $\pi$ pulse of a linear field. Our finding provides an alternative method for fabricating quantum devices through dissipation., Comment: 7 pages, 5 figures

Motivated by recent experimental observations of displacement-field-tuned correlated insulators at integer and half-integer fillings in chirally twisted triple bilayer graphene (CTTBG), we study the single-particle and interacting physics of CTTBG. We find that there are two inequivalent stacking orders, {\it i.e.}, ABABBC and ABABAB, and both exhibit flat bands with nontrivial topology. We then use the Hartree-Fock approximation to calculate the rich phase diagram of CTTBG at all integer and half-integer fillings in both stacking orders and under the vertical displacement field. Under a small displacement field, the groundstates are flavor polarized states for ABABBC stacking order and intervalley coherent states for ABABAB stacking order at all integer and half-integer fillings. A larger displacement field will turn them into layer-polarized states. At half-integer fillings, the groundstates also exhibit charge density wave (CDW) order. For ABABAB stacking, the groundstates are always $2\times1$ stripe state among a range of displacement fields. For ABABBC stacking, the groundstates are also $2\times1$ stripe states under a small displacement field and a larger displacement will possibly favor further translation-symmetry-breaking, depending on filling and the direction of the displacement field. We demonstrate that the CDW states observed in the experiment can originate from the strong Coulomb interaction of the flat band electrons.

We propose a general principle for the low-energy theory of narrow bands with concentrated Berry curvature and Fubini-Study metric in the form of a map to Anderson-"+" models composed of heavy fermions hybridizing and interacting with semi-metallic modes. This map resolves the obstruction preventing topological bands from being realized in a local Hamiltonian acting on the low-energy degrees of freedom. The concentrated quantum geometry is reproduced through band inversion with a dispersive semi-metal, leaving a nearly flat, trivial band which becomes the heavy fermion. This representation is natural when the narrow band is not energetically isolated on the scale of the interaction and an enlarged Hilbert space is inescapable, but also provides analytical insight into the projected-interaction limit. First exemplified in twisted bilayer graphene (TBG), we extend it to (1) the twisted checkerboard, which we find has a chiral symmetric stable anomaly that forbids a lattice realization at all energies, and (2) the Lieb lattice with gapless flat bands, where we show the heavy fermions can be obtained by minimizing a Euclidean instanton action to saturate its BPS bound. The heavy fermion approach is widely applicable and physically transparent: heavy electrons carry the strong correlations and dispersive electrons carry the topology. This simple picture unifies the dichotomous phenomena observed in TBG and points to connections between moir\'e and stoichiometric materials.

We propose a theory for how the weak phonon-mediated interaction ($J_{\rm A}\!=\!1\!\sim\!4$meV) wins over the prohibitive Coulomb repulsion ($U\!=\!30\!\sim\!60$meV) and leads to a superconductor in magic-angle twisted bilayer graphene (MATBG). We find the pairing mechanism akin to that in the A$_3$C$_{60}$ family of molecular superconductors: Each AA stacking region of MATBG resembles a C$_{60}$ molecule, in that optical phonons can dynamically lift the degeneracy of the moir\'e orbitals, in analogy to the dynamical Jahn-Teller effect. Such induced $J_{\rm A}$ has the form of an inter-valley anti-Hund's coupling and is less suppressed than $U$ by the Kondo screening near a Mott insulator. Additionally, we also considered an intra-orbital Hund's coupling $J_{\rm H}$ that originates from the on-site repulsion of a carbon atom. Under a reasonable approximation of the realistic model, we prove that the renormalized local interaction between quasi-particles must have a pairing (negative) channel in a doped correlated insulator at $\nu=\pm(2+\delta\nu)$, albeit the bare interaction is positive definite. The proof is non-perturbative and based on exact asymptotic behaviors of the vertex function imposed by Ward identities. Existence of an optimal $U$ for superconductivity is predicted. We also analyzed the pairing symmetry. In a large area of the parameter space of $J_{\rm A}$, $J_{\rm H}$, the ground state has a nematic $d$-wave singlet pairing, which, however, can lead to a $p$-wave-like nodal structure due to the Berry's phase on Fermi surfaces (or Euler obstruction).

The $k\cdot p$ method is significant in condensed matter physics for the compact and analytical Hamiltonian. In the presence of magnetic field, it is described by the effective Zeeman's coupling Hamiltonian with Land\'e $ g $-factors. Here, we develop an open-source package VASP2KP (including two parts: vasp2mat and mat2kp) to compute $k\cdot p$ parameters and Land\'e $g$-factors directly from the wavefunctions provided by the density functional theory (DFT) as implemented in Vienna ab initio Simulation Package (VASP). First, we develop a VASP patch vasp2mat to compute matrix representations of the generalized momentum operator $ \mathbf{\hat{\pi}}=\mathbf{\hat{p}}+\frac{1}{2mc^2}\left(\mathbf{\hat{s}}\times\nabla V(\mathbf{r})\right) $, spin operator $\mathbf{\hat{s}}$, time reversal operator $\hat{T}$ and crystalline symmetry operators $\hat{R}$ on the DFT wavefunctions. Second, we develop a python code mat2kp to obtain the unitary transformation $U$ that rotates the degenerate DFT basis towards the standard basis, and then automatically compute the $k\cdot p$ parameters and $g$-factors. The theory and the methodology behind VASP2KP are described in detail. The matrix elements of the operators are derived comprehensively and computed correctly within the projector augmented wave method. We apply this package to some materials, e.g., Bi$_2$Se$_3$, Na$_3$Bi, Te, InAs and 1H-TMD monolayers. The obtained effective model's dispersions are in good agreement with the DFT data around the specific wave vector, and the $g$-factors are consistent with experimental data. The VASP2KP package is available at https://github.com/zjwang11/VASP2KP.

In the pseudogap phase of the cuprate, a thermal Hall response of neutral objects has been recently detected experimentally, which continuously persists into the antiferromagnetic insulating phase. In this work, we study the transport properties of neutral spinons as the elementary excitation of a doped Mott insulator, which is governed by a mutual Chern-Simons topological gauge structure. We show that such a chiral spinon as a composite of an $S=1/2$ spin sitting at the core of a supercurrent vortex, can contribute to the thermal Hall effect, thermopower, and Hall effect due to its intrinsic transverse (cyclotron) motion under internal fictitious fluxes. In particular, the magnitudes of the transport coefficients are phenomenologically determined by two basic parameters: the doping concentration and $T_c$, quantitatively consistent with the experimental measurements including the signs and qualitative temperature and magnetic field dependence. Combined with the predictions of the spinon longitudinal transport properties, including the Nernst and spin Hall effects, a phenomenological description of the pseudogap phase is established as characterized by the neutral spinon excitations, which eventually become "confined" with an intrinsic superconducting transition at $T_c$. Finally, within this theoretical framework, the "order to order" phase transition between the superconducting and antiferromagnetic insulating phases are briefly discussed, with the thermal Hall monotonically increasing into the latter., Comment: 12+5 pages, 7+2 figures

We investigate the influence of the external fields on the stability of spin helix states in a XXZ Heisenberg model. Exact diagonalization on finite system shows that random transverse fields in x and y directions drive the transition from integrability to nonintegrability. It results in the fast decay of a static helix state, which is the eigenstate of an unperturbed XXZ Heisenberg model. However, in the presence of uniform z field, the static helix state becomes a dynamic helix state with a relatively long life as a quantum scar state., Comment: 7 pages, 4 figures

In this work, we exhaust all the spin-space symmetries, which fully characterize collinear, non-collinear, commensurate, and incommensurate spiral magnetism, and investigate enriched features of electronic bands that respect these symmetries. We achieve this by systematically classifying the so-called spin space groups (SSGs) - joint symmetry groups of spatial and spin operations that leave the magnetic structure unchanged. Generally speaking, they are accurate (approximate) symmetries in systems where spin-orbit coupling (SOC) is negligible (finite but weaker than the interested energy scale); but we also show that specific SSGs could remain valid even in the presence of a strong SOC. By representing the SSGs as O($N$) representations, we - for the first time - obtain the complete classifications of 1421, 9542, and 56512 distinct SSGs for collinear ($N=1$), coplanar ($N=2$), and non-coplanar ($N=3$) magnetism, respectively. SSG not only fully characterizes the symmetry of spin d.o.f., but also gives rise to exotic electronic states, which, in general, form projective representations of magnetic space groups (MSGs). Surprisingly, electronic bands in SSGs exhibit features never seen in MSGs, such as nonsymmorphic SSG Brillouin zone (BZ), where SSG operations behave as glide or screw when act on momentum and unconventional spin-momentum locking, which is completely determined by SSG, independent of Hamiltonian details. To apply our theory, we identify the SSG for each of the 1604 published magnetic structures in the MAGNDATA database on the Bilbao Crystallographic Server. Material examples exhibiting aforementioned novel features are discussed with emphasis. We also investigate new types of SSG-protected topological electronic states that are unprecedented in MSGs., Comment: accepted in Physical Review X

Transitions between distinct obstructed atomic insulators (OAIs) protected by crystalline symmetries, where electrons form molecular orbitals centering away from the atom positions, must go through an intermediate metallic phase. In this work, we find that the intermediate metals will become a scale-invariant critical metal phase (CMP) under certain types of quenched disorder that respect the magnetic crystalline symmetries on average. We explicitly construct models respecting average $C_{2z}T$, $m$, and $C_{4z}T$ and show their scale-invariance under chemical potential disorder by the finite-size scaling method. Conventional theories, such as weak anti-localization and topological phase transition, cannot explain the underlying mechanism. A quantitative mapping between lattice and network models shows that the CMP can be understood through a semi-classical percolation problem. Ultimately, we systematically classify all the OAI transitions protected by (magnetic) groups $Pm$, $P2'$, $P4'$, and $P6'$ with and without spin-orbit coupling, most of which can support CMP.

The recently-introduced Topological Heavy Fermion (THF) model [Phys. Rev. Lett. 129, 047601] of twisted bilayer graphene (TBG) aims to reconcile the quantum-dot-like electronic structure of the latter observed by scanning tunneling microscopy, with its electron delocalization seen in transport measurements. The THF model achieves this by coupling localized (heavy) fermions with anomalous conduction electrons. Originally, the parameters of the THF model were obtained numerically from the Bistritzer-Macdonald (BM) model of TBG [Phys. Rev. Lett. 129, 047601]. In this work, we derive analytical expressions for the THF model parameters as a function of the twist angle, the ratio between the tunneling amplitudes at the $AA$ and $AB$ regions ($w_0 / w_1$), and the screening length of the interaction potential. By numerically computing the THF model parameters across an extensive experimentally-relevant parameter space, we show that the resulting approximations are remarkably good, i.e. within the 30% relative error for almost the entire parameter space. At the single-particle level, the THF model accurately captures the energy spectrum of the BM model over a large phase space of angles and tunneling amplitude ratios. When interactions are included, we also show that the THF description of TBG is good around the magic angle for realistic values of the tunneling amplitude ratios ($0.6 \leq w_0/w_1 \leq 1.0$), for which the hybridization between the localized and conduction fermions $\gamma$ is smaller than the onsite repulsion of the heavy fermions $U_1$ (i.e. $|\gamma| < U_1$)., Comment: 18+144 pages and 6+57 figures. Published version

A number of interesting physical phenomena have been discovered in magic-angle twisted bilayer graphene (MATBG), such as superconductivity, correlated gapped and gapless phases, etc. The gapped phases are believed to be symmetry-breaking states described by mean-field theories, whereas gapless phases exhibit features beyond mean field. This work, combining poor man's scaling, numerical renormalization group, and dynamic mean-field theory, demonstrates that the gapless phases are the heavy Fermi liquid state with some symmetries broken and the others preserved. We adopt the recently proposed topological heavy fermion model for MATBG with effective local orbitals around AA-stacking regions and Dirac fermions surrounding them. At zero temperature and most non-integer fillings, the ground states are found to be heavy Fermi liquids and exhibit Kondo resonance peaks. The Kondo temperature $T_K$ is found at the order of 1meV. A higher temperature than $T_K$ will drive the system into a metallic LM phase where disordered LM's and a Fermi liquid coexist. At integer fillings $\pm1,\pm2$, $T_K$ is suppressed to zero or a value weaker than RKKY interaction, leading to Mott insulators or symmetry-breaking states. This theory offers a unified explanation for several experimental observations, such as zero-energy peaks and quantum-dot-like behaviors in STM, the Pomeranchuk effect, and the saw-tooth feature of inverse compressibility, etc. For future experimental verification, we predict that the Fermi surface in the gapless phase will shrink upon heating - as a characteristic of the heavy Fermi liquid. We also conjecture that the heavy Fermi liquid is the parent state of the observed unconventional superconductivity because the Kondo screening reduces the overwhelming Coulomb interaction (~60meV) to a rather small effective interaction (~1meV) comparable to possible weak attractive interactions., Comment: 14+12 pages, 5+3 figures. Published version

The topological phases of non-interacting fermions have been classified by their symmetries, culminating in a modern electronic band theory where wavefunction topology can be obtained (in part) from momentum space. Recently, Real Space Invariants (RSIs) have provided a spatially local description of the global momentum space indices. The present work generalizes this real space classification to interacting 2D states. We construct many-body local RSIs as the quantum numbers of a set of symmetry operators on open boundaries, but which are independent of the choice of boundary. Using the $U(1)$ particle number, they yield many-body fragile topological indices, which we use to identify which single-particle fragile states are many-body topological or trivial at weak coupling. To this end, we construct an exactly solvable Hamiltonian with single-particle fragile topology that is adiabatically connected to a trivial state through strong coupling. We then define global many-body RSIs on periodic boundary conditions. They reduce to Chern numbers in the band theory limit, but also identify strongly correlated stable topological phases with no single-particle counterpart. Finally, we show that the many-body local RSIs appear as quantized coefficients of Wen-Zee terms in the topological quantum field theory describing the phase., Comment: 5 + 36 pages

Phonons play a crucial role in many properties of solid state systems, such as thermal and electrical conductivity, neutron scattering and associated effects or superconductivity. Hence, it is expected that topological phonons will also lead to rich and unconventional physics and the search of materials hosting topological phonons becomes a priority in the field. In electronic crystalline materials, a large part of the topological properties of Bloch states can be indicated by their symmetry eigenvalues in reciprocal space. This has been adapted to the high-throughput calculations of topological materials, and more than half of the stoichiometric materials on the databases are found to be topological insulators or semi-metals. Based on the existing phonon materials databases, here we have performed the first catalogue of topological phonon bands for more than ten thousand three-dimensional crystalline materials. Using topological quantum chemistry, we calculate the band representations, compatibility relations, and band topologies of each isolated set of phonon bands for the materials in the phonon databases. We have also calculated the real space invariants for all the topologically trivial bands and classified them as atomic and obstructed atomic bands. In particular, surface phonon modes (dispersion) are calculated on different cleavage planes for all the materials. Remarkably, we select more than one thousand "ideal" non-trivial phonon materials to fascinate the future experimental studies. All the data-sets obtained in the the high-throughput calculations are used to build a Topological Phonon Database., Comment: 8+535 pages, 187 figures, 21 tables. The Topological Phonon Database is available at https://www.topologicalquantumchemistry.com/topophonons or https://www.topologicalquantumchemistry.fr/topophonons

Adding magnetic flux to a band structure breaks Bloch's theorem by realizing a projective representation of the translation group. The resulting Hofstadter spectrum encodes the non-perturbative response of the bands to flux. Depending on their topology, adding flux can enforce a bulk gap closing (a Hofstadter semimetal) or boundary state pumping (a Hofstadter topological insulator). In this work, we present a real-space classification of these Hofstadter phases. We give topological indices in terms of symmetry-protected Real Space Invariants (RSIs) which encode bulk and boundary responses of fragile topological states to flux. In fact, we find that the flux periodicity in tight-binding models causes the symmetries which are broken by the magnetic field to reenter at strong flux where they form projective point group representations. We completely classify the reentrant projective point groups and find that the Schur multipliers which define them are Arahanov-Bohm phases calculated along the bonds of the crystal. We find that a nontrivial Schur multiplier is enough to predict and protect the Hofstadter response with only zero-flux topology.

Asynchronous events sequences are widely distributed in the natural world and human activities, such as earthquakes records, users activities in social media and so on. How to distill the information from these seemingly disorganized data is a persistent topic that researchers focus on. The one of the most useful model is the point process model, and on the basis, the researchers obtain many noticeable results. Moreover, in recent years, point process models on the foundation of neural networks, especially recurrent neural networks (RNN) are proposed and compare with the traditional models, their performance are greatly improved. Enlighten by transformer model, which can learning sequence data efficiently without recurrent and convolutional structure, transformer Hawkes process is come out, and achieves state-of-the-art performance. However, there is some research proving that the re-introduction of recursive calculations in transformer can further improve transformers performance. Thus, we come out with a new kind of transformer Hawkes process model, universal transformer Hawkes process (UTHP), which contains both recursive mechanism and self-attention mechanism, and to improve the local perception ability of the model, we also introduce convolutional neural network (CNN) in the position-wise-feed-forward part. We conduct experiments on several datasets to validate the effectiveness of UTHP and explore the changes after the introduction of the recursive mechanism. These experiments on multiple datasets demonstrate that the performance of our proposed new model has a certain improvement compared with the previous state-of-the-art models.

In recent years, mining the knowledge from asynchronous sequences by Hawkes process is a subject worthy of continued attention, and Hawkes processes based on the neural network have gradually become the most hotly researched fields, especially based on the recurrence neural network (RNN). However, these models still contain some inherent shortcomings of RNN, such as vanishing and exploding gradient and long-term dependency problems. Meanwhile, Transformer based on self-attention has achieved great success in sequential modeling like text processing and speech recognition. Although the Transformer Hawkes process (THP) has gained huge performance improvement, THPs do not effectively utilize the temporal information in the asynchronous events, for these asynchronous sequences, the event occurrence instants are as important as the types of events, while conventional THPs simply convert temporal information into position encoding and add them as the input of transformer. With this in mind, we come up with a new kind of Transformer-based Hawkes process model, Temporal Attention Augmented Transformer Hawkes Process (TAA-THP), we modify the traditional dot-product attention structure, and introduce the temporal encoding into attention structure. We conduct numerous experiments on a wide range of synthetic and real-life datasets to validate the performance of our proposed TAA-THP model, significantly improvement compared with existing baseline models on the different measurements is achieved, including log-likelihood on the test dataset, and prediction accuracies of event types and occurrence times. In addition, through the ablation studies, we vividly demonstrate the merit of introducing additional temporal attention by comparing the performance of the model with and without temporal attention.