arXiv subjects

B. Andrei Bernevig

Publications and source records attributed to B. Andrei Bernevig.

At least 109 records · Page 6Linked to original sources

arXiv2023

Electron-K-Phonon Interaction In Twisted Bilayer Graphene

We develop an analytic theory to describe the interaction between electrons and K-phonons and study its influence on superconductivity in the bare bands of twisted bilayer graphene (TBG). We find that, due to symmetry and the two-center approximation, only one optical K-phonon (~ 160meV) of graphene is responsible for inter-valley electron-phonon interaction. This phonon has recently been found in angular-resolved photo-emission spectroscopy to be responsible for replicas of the TBG flat bands. By projecting the interaction to the TBG flat bands, we perform the full symmetry analysis of phonon-mediated attractive interaction and pairing channels in the Chern basis, and show that several channels are guaranteed to have gapless order parameters. From the linearized gap equations, we find that the highest Tc pairing induced by this phonon is a singlet gapped s-wave inter-Chern-band order parameter, followed closely by a gapless nematic d-wave intra-Chern-band order parameter. We justify these results analytically, using the topological heavy fermion mapping of TBG which has allowed us to obtain an analytic form of phonon-mediated attractive interaction and to analytically solve the linearized and T=0 gap equations. For the intra-Chern-band channel, the nematic state with nodes is shown to be stabilized in the chiral flat band limit. While the flat band Coulomb interaction can be screened sufficiently enough - around Van-Hove singularities - to allow for electron-phonon based superconductivity, it is unlikely that this effect can be maintained in the lower density of states excitation bands around the correlated insulator states.

cond-mat.supr-con↗

arXiv2023

Quantum textures of the many-body wavefunctions in magic-angle graphene

Interactions among electrons create novel many-body quantum phases of matter with wavefunctions that often reflect electronic correlation effects, broken symmetries, and novel collective excitations. A wide range of quantum phases has been discovered in MATBG, including correlated insulating, unconventional superconducting, and magnetic topological phases. The lack of microscopic information, including precise knowledge of possible broken symmetries, has thus far hampered our understanding of MATBG's correlated phases. Here we use high-resolution scanning tunneling microscopy to directly probe the wavefunctions of the correlated phases in MATBG. The squares of the wavefunctions of gapped phases, including those of the correlated insulators, pseudogap, and superconducting phases, show distinct patterns of broken symmetry with a $\sqrt{3}$ x $\sqrt{3}$ super-periodicity on the graphene atomic lattice that has a complex spatial dependence on the moiré superlattice scale. We introduce a symmetry-based analysis to describe our measurements of the wavefunctions of MATBG's correlated phases with a set of complex-valued local order parameters. For the correlated insulators in MATBG, at fillings of $ν$ = $\pm$ 2 electrons per moiré unit cell relative to charge neutrality, we compare the observed quantum textures to those expected for proposed theoretical ground states. In typical MATBG devices, the textures of correlated insulators' wavefunctions closely match those of the theoretically proposed IKS order, while in ultra-low-strain samples our data has local symmetries like those of a T-IVC phase. We also study the wavefunction of MATBG's superconducting state, revealing strong signatures of intervalley coherence that can only be distinguished from those of the insulator with our phase-sensitive measurements.

cond-mat.mes-hall↗

arXiv2023

Phase diagram of twisted bilayer graphene at filling factor $ν=\pm3$

We study the correlated insulating phases of twisted bilayer graphene (TBG) in the absence of lattice strain at integer filling $ν=\pm3$. Using the self-consistent Hartree-Fock method on a particle-hole symmetric model and allowing translation symmetry breaking terms, we obtain the phase diagram with respect to the ratio of $AA$ interlayer hopping $(w_0)$ and $AB$ interlayer hopping $(w_1)$. When the interlayer hopping ratio is close to the chiral limit ($w_0/w_1 \lesssim 0.5$), a quantum anomalous Hall state with Chern number $ν_c = \pm 1$ can be observed consistent with previous studies. Around the realistic value $w_0/w_1 \approx 0.8$, we find a spin and valley polarized, translation symmetry breaking, state with $C_{2z}T$ symmetry, a charge gap and a doubling of the moiré unit cell, dubbed the $C_{2z}T$ stripe phase. The real space total charge distribution of this $C_{2z}T$ stripe phase in the flat band limit does not have modulation between different moiré unit cells, although the charge density in each layer is modulated, and the translation symmetry is strongly broken. Other symmetries, including $C_{2z}$, $C_{2x}$ and particle-hole symmetry $P$, and the topology of the $C_{2z}T$ stripe phase are also discussed in detail. We observed braiding and annihilation of the Dirac nodes by continuously turning on the order parameter to its fully self-consistent value, and provide a detailed explanation of the mechanism for the charge gap opening despite preserving $C_{2z}T$ and valley $U(1)$ symmetries. In the transition region between the quantum anomalous Hall phase and the $C_{2z}T$ stripe phase, we find an additional competing state with comparable energy corresponding to a phase with a tripling of the moiré unit cell.

cond-mat.str-el↗

arXiv2023

Electron Doping of a Double Perovskite Flat-band System

Electronic structure calculations indicate that the Sr2FeSbO6 double perovskite has a flat-band set just above the Fermi level that includes contributions from ordinary sub-bands with weak kinetic electron hopping plus a flat sub-band that can be attributed to the lattice geometry and orbital interference. To place the Fermi energy in that flat band, electron doped samples with formulas Sr2-xLaxFeSbO6 (0 < x < 0.3) were synthesized and their magnetism and ambient temperature crystal structures determined by high-resolution synchrotron X-ray powder diffraction. All materials appear to display an antiferromagnetic-like maximum in the magnetic susceptibility, but the dominant spin coupling evolves from antiferromagnetic to ferromagnetic on electron doping. Which of the three sub-bands or combinations is responsible for the behavior has not been determined.

cond-mat.mtrl-sci↗

arXiv2023

Kondo Lattice Model of Magic-Angle Twisted-Bilayer Graphene: Hund's Rule, Local-Moment Fluctuations, and Low-Energy Effective Theory

We apply a generalized Schrieffer-Wolff transformation to the extended Anderson-like topological heavy fermion (THF) model for the magic-angle $(θ=1.05^{\circ})$ twisted bilayer graphene (MATBLG) (Phys. Rev. Lett. 129, 047601 (2022)), to obtain its Kondo Lattice limit. In this limit localized $f$-electrons on a triangular lattice interact with topological conduction $c$-electrons. By solving the exact limit of the THF model, we show that the integer fillings $ν=0, \pm 1, \pm 2$ are controlled by the heavy $f$-electrons, while $ν= \pm 3$ is at the border of a phase transition between two $f$-electron fillings. For $ν=0, \pm 1, \pm 2$, we then calculate the RKKY interactions between the $f$-moments in the full model and analytically prove the SU(4) Hund's rule for the ground state which maintains that two $f$-electrons fill the same valley-spin flavor. Our (ferromagnetic interactions in the) spin model dramatically differ from the usual Heisenberg antiferromagnetic interactions expected at strong coupling. We show the ground state in some limits can be found exactly by employing a positive semidefinite "bond-operators" method. We then compute the excitation spectrum of the $f$-moments in the ordered ground state, prove the stability of the ground state favored by RKKY interactions, and discuss the properties of the Goldstone modes, the (reason for the accidental) degeneracy of (some of) the excitation modes, and the physics of their phase stiffness. We develop a low-energy effective theory for the $f$-moments and obtain analytic expressions for the dispersion of the collective modes. We discuss the relevance of our results to the spin-entropy experiments in twisted bilayer graphene.

cond-mat.str-el↗

arXiv2022

Catalogue of topological phonon materials

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.

cond-mat.mtrl-sci↗

arXiv2022

Machine learning spectral indicators of topology

Topological materials discovery has emerged as an important frontier in condensed matter physics. While theoretical classification frameworks have been used to identify thousands of candidate topological materials, experimental determination of materials' topology often poses significant technical challenges. X-ray absorption spectroscopy (XAS) is a widely-used materials characterization technique sensitive to atoms' local symmetry and chemical bonding, which are intimately linked to band topology by the theory of topological quantum chemistry (TQC). Moreover, as a local structural probe, XAS is known to have high quantitative agreement between experiment and calculation, suggesting that insights from computational spectra can effectively inform experiments. In this work, we leverage computed X-ray absorption near-edge structure (XANES) spectra of more than 10,000 inorganic materials to train a neural network (NN) classifier that predicts topological class directly from XANES signatures, achieving F$_1$ scores of 89% and 93% for topological and trivial classes, respectively. Additionally, we obtain consistent classifications using corresponding experimental and computational XANES spectra for a small number of measured compounds. Given the simplicity of the XAS setup and its compatibility with multimodal sample environments, the proposed machine learning-augmented XAS topological indicator has the potential to discover broader categories of topological materials, such as non-cleavable compounds and amorphous materials, and may further inform field-driven phenomena in situ, such as magnetic field-driven topological phase transitions.

cond-mat.dis-nn↗

arXiv2022

Topological Zero-Dimensional Defect and Flux States in Three-Dimensional Insulators

In insulating crystals, it was previously shown that defects with two fewer dimensions than the bulk can bind topological electronic states. We here further extend the classification of topological defect states by demonstrating that the corners of crystalline defects with integer Burgers vectors can bind 0D higher-order end (HEND) states with anomalous charge and spin. We demonstrate that HEND states are intrinsic topological consequences of the bulk electronic structure and introduce new bulk topological invariants that are predictive of HEND dislocation states in solid-state materials. We demonstrate the presence of first-order 0D defect states in PbTe monolayers and HEND states in 3D SnTe crystals. We relate our analysis to magnetic flux insertion in insulating crystals. We find that $π$-flux tubes in inversion- and time-reversal-symmetric (helical) higher-order topological insulators bind Kramers pairs of spin-charge-separated HEND states, which represent observable signatures of anomalous surface half quantum spin Hall states.

cond-mat.mes-hall↗

arXiv2022

Hofstadter Topology with Real Space Invariants and Reentrant Projective Symmetries

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.

cond-mat.mes-hall↗

arXiv2022

Spectroscopy of Twisted Bilayer Graphene Correlated Insulators

We analytically compute the scanning tunneling microscopy (STM) signatures of integer-filled correlated ground states of the magic angle twisted bilayer graphene (TBG) narrow bands. After experimentally validating the strong-coupling approach at $\pm 4$ electrons/moiré unit cell, we consider the spatial features of the STM signal for 14 different many-body correlated states and assess the possibility of Kekulé distortion (KD) emerging at the graphene lattice scale. Remarkably, we find that coupling the two opposite graphene valleys in the intervalley-coherent (IVC) TBG insulators does not always result in KD. As an example, we show that the Kramers IVC state and its nonchiral $\mathrm{U} \left( 4 \right)$ rotations do not exhibit any KD, while the time-reversal-symmetric IVC state does. Our results, obtained over a large range of energies and model parameters, show that the STM signal and Chern number of a state can be used to uniquely determine the nature of the TBG ground state.

cond-mat.str-el↗

arXiv2022

Hierarchy of quasi-symmetries and degeneracies in chiral crystal materials CoSi

In materials, certain approximated symmetry operations can exist in a lower-order approximation of the effective model but are good enough to influence the physical responses of the system, and these approximated symmetries were recently dubbed "quasi-symmetries" \cite{guo_arxiv_2021}. In this work, we reveal a hierarchy structure of the quasi-symmetries and the corresponding nodal structures that they enforce via two different approaches of the perturbation expansions for the effective model in the chiral crystal material CoSi. In the first approach, we treat the spin-independent linear momentum (k) term as the zero-order Hamiltonian. Its energy bands are four-fold degenerate due to an SU(2)$\times$SU(2) quasi-symmetry. We next consider both the k-independent spin-orbit coupling (SOC) and full quadratic-k terms as the perturbation terms and find that the first-order perturbation leads to a model described by a self-commuting "stabilizer code" Hamiltonian with a U(1) quasi-symmetry that can protect nodal planes. In the second approach, we treat the SOC-free linear-k term and k-independent SOC term as the zero-order. They exhibit an SU(2) quasi-symmetry, which can be reduced to U(1) quasi-symmetry by a choice of quadratic terms. Correspondingly, a two-fold degeneracy for all the bands due to the SU(2) quasi-symmetry is reduced to two-fold nodal planes that are protected by the U(1) quasi-symmetry. For both approaches, including higher-order perturbation will break the U(1) quasi-symmetry and induce a small gap $\sim$ 1 meV for the nodal planes. These quasi-symmetry protected near degeneracies play an essential role in understanding recent quantum oscillation experiments in CoSi.

cond-mat.mes-hall↗

arXiv2022

Many-Body Superconductivity in Topological Flat Bands

In a flat band superconductor, bosonic excitations can disperse while unpaired electrons are immobile. To study this strongly interacting system, we construct a family of multi-band Hubbard models with exact eta-pairing ground states in all space groups. We analytically compute their many-body excitations and find that the Cooper pair bound states and density excitations obey an effective single-particle Hamiltonian written in terms of the non-interacting wavefunctions. These bound states possess a unique zero-energy excitation whose quadratic dispersion is determined by the minimal quantum metric. The rest of the bound state spectrum is classified by topological quantum chemistry, which we use to identify Cooper pairs with Weyl nodes, higher angular momentum pairing, and fragile topology. We also add electron kinetic energy as a perturbation to show that the strongest pairing occurs at half filling and not at the highest density of states. This is similar in spirit to the superconductivity observed in twisted bilayer graphene.

cond-mat.str-el↗

arXiv2022

Magnetic Bloch Theorem and Reentrant Flat Bands in Twisted Bilayer Graphene at $2π$ Flux

Bloch's theorem is the centerpiece of topological band theory, which itself has defined an era of quantum materials research. However, Bloch's theorem is broken by a perpendicular magnetic field, making it difficult to study topological systems in strong flux. For the first time, moiré materials have made this problem experimentally relevant, and its solution is the focus of this work. We construct gauge-invariant irreps of the magnetic translation group at $2π$ flux on infinite boundary conditions, allowing us to give analytical expressions in terms of the Siegel theta function for the magnetic Bloch Hamiltonian, non-Abelian Wilson loop, and many-body form factors. We illustrate our formalism using a simple square lattice model and the Bistritzer-MacDonald Hamiltonian of twisted bilayer graphene, obtaining reentrant ground states at $2π$ flux under the Coulomb interaction.

cond-mat.mes-hall↗

arXiv2022

Quantum Many-Body Scars and Hilbert Space Fragmentation: A Review of Exact Results

The discovery of Quantum Many-Body Scars (QMBS) both in Rydberg atom simulators and in the Affleck-Kennedy-Lieb-Tasaki (AKLT) spin-1 chain model, have shown that a weak violation of ergodicity can still lead to rich experimental and theoretical physics. In this review, we provide a pedagogical introduction to and an overview of the exact results on weak ergodicity breaking via QMBS in isolated quantum systems with the help of simple examples such as the fermionic Hubbard model. We also discuss various mechanisms and unifying formalisms that have been proposed to encompass the plethora of systems exhibiting QMBS. We cover examples of equally-spaced towers that lead to exact revivals for particular initial states, as well as isolated examples of QMBS. Finally, we review Hilbert Space Fragmentation, a related phenomenon where systems exhibit a richer variety of ergodic and non-ergodic behaviors, and discuss its connections to QMBS.

cond-mat.str-el↗

arXiv2022

Catalogue of Flat-Band Stoichiometric Materials

Topological electronic flatten bands near or at the Fermi level are a promising avenue towards unconventional superconductivity and correlated insulating states. However, the related experiments are mostly limited to the engineered materials, such as moire systems. Here we present a catalogue of all the three-dimensional stoichiometric materials with flat bands around the Fermi level that exist in nature. We consider 55,206 materials from the Inorganic Crystal Structure Database catalogued using the Topological Quantum Chemistry website which provides their structural parameters, space group (SG), band structure, density of states and topological characterization. We combine several direct signatures and properties of band flatness to a high-throughput analysis of all crystal structures. In particular, we identify materials hosting line-graph or bipartite sublattices - either in two or three dimensions - likely leading to flat bands. From this trove of information, we create the Materials Flatband Database website, a powerful search engine for future theoretical and experimental studies. We use it to extract a curated list of 2,379 materials, with among them 345 promising candidates, potentially hosting flat bands whose charge centers are not strongly localized on the atomic sites. We showcase five representative materials: KAg[CN]2 in SG 163 $(P\bar{3}1c)$, Pb2Sb2O7 in SG 227 $(Fd\bar{3}m)$, Rb2CaH4 in SG 139 $(I4/mmm)$, Ca2NCl in SG 166 $(R\bar{3}m)$ and WO3 in SG 221 $(Pm\bar{3}m)$. We provide a theoretical explanation for the origin of their flat bands close to the Fermi energy using the $S$-matrix method introduced in a parallel work [Calugaru et al., Nature Physics 18, 185 (2022)].

cond-mat.str-el↗

arXiv2022

All Topological Bands of All Nonmagnetic Stoichiometric Materials

Topological Quantum Chemistry and Symmetry-Based Indicators have facilitated large-scale searches for materials with topological properties at the Fermi energy ($E_{F}$). We report the completion of a publicly accessible catalog of stable and fragile topology in all of the bands both at and away from $E_{F}$ in the 96,196 processable entries in the Inorganic Crystal Structure Database. Our calculations represent the completion of the symmetry-indicated band topology of known nonmagnetic materials, and enable the discovery of repeat-topological and supertopological materials, which include rhombohedral bismuth and Bi$_2$Mg$_3$. We find that 52.65% of all materials are topological at $E_{F}$, roughly $2/3$ of bands across all materials exhibit symmetry-indicated stable topology, and that 87.99% of all materials contain at least one stable or fragile topological band.

cond-mat.mtrl-sci↗

arXiv2022

Quasi-symmetry protected topology in a semi-metal

The crystal symmetry of a material dictates the type of topological band structures it may host, and therefore symmetry is the guiding principle to find topological materials. Here we introduce an alternative guiding principle, which we call 'quasi-symmetry'. This is the situation where a Hamiltonian has an exact symmetry at lower-order that is broken by higher-order perturbation terms. This enforces finite but parametrically small gaps at some low-symmetry points in momentum space. Untethered from the restraints of symmetry, quasi-symmetries eliminate the need for fine-tuning as they enforce that sources of large Berry curvature will occur at arbitrary chemical potentials. We demonstrate that a quasi-symmetry in the semi-metal CoSi stabilizes gaps below 2 meV over a large near-degenerate plane that can be measured in the quantum oscillation spectrum. The application of in-plane strain breaks the crystal symmetry and gaps the degenerate point, observable by new magnetic breakdown orbits. The quasi-symmetry, however, does not depend on spatial symmetries and hence transmission remains fully coherent. These results demonstrate a class of topological materials with increased resilience to perturbations such as strain-induced crystalline symmetry breaking, which may lead to robust topological applications as well as unexpected topology beyond the usual space group classifications.

cond-mat.mtrl-sci↗

arXiv2022

MATBG as Topological Heavy Fermion: I. Exact Mapping and Correlated Insulators

Magic-angle ($θ=1.05^\circ$) twisted bilayer graphene (MATBG) has shown two seemingly contradictory characters: the localization and quantum-dot-like behavior in STM experiments, and delocalization in transport experiments. We construct a model, which naturally captures the two aspects, from the Bistritzer-MacDonald (BM) model in a first principle spirit. A set of local flat-band orbitals ($f$) centered at the AA-stacking regions are responsible to the localization. A set of extended topological conduction bands ($c$), which are at small energetic separation from the local orbitals, are responsible to the delocalization and transport. The topological flat bands of the BM model appear as a result of the hybridization of $f$- and $c$-electrons. This model then provides a new perspective for the strong correlation physics, which is now described as strongly correlated $f$-electrons coupled to nearly free topological semimetallic $c$-electrons - we hence name our model as the topological heavy fermion model. Using this model, we obtain the U(4) and U(4)$\times$U(4) symmetries as well as the correlated insulator phases and their energies. Simple rules for the ground states and their Chern numbers are derived. Moreover, features such as the large dispersion of the charge $\pm1$ excitations and the minima of the charge gap at the $Γ_M$ point can now, for the first time, be understood both qualitatively and quantitatively in a simple physical picture. Our mapping opens the prospect of using heavy-fermion physics machinery to the superconducting physics of MATBG.

cond-mat.str-el↗