arXiv subjects

E. J. Mele

Publications and source records attributed to E. J. Mele.

At least 19 recordsLinked to original sources

arXiv2026

Theory for Lattice Relaxation in Marginal Twist Moirés

Atomically thin moiré materials behave like elastic membranes where at very small twist angles, the van der Waals adhesion energy much exceeds the strain energy. In this ``marginal twist" regime, regions with low adhesion energy expand, covering most of the moiré unit cell, while all the unfavorable energy configurations shrink to form topological defects linked by a periodic network of domain walls. We find analytical expressions that successfully capture this strong-coupling regime for both the triangular soliton network and the honeycomb soliton network matching predictions from LAMMPS molecular dynamics simulations, and numerical solutions of continuum elasticity theory. There is an emergent universality where the theory is characterized by a single twist-angle dependent parameter. Our formalism is essential to understand experiments on a wide-range of materials of current interest including twisted bilayer graphene, both parallel and antiparallel stacked tWSe2 and tMoTe2, and any other twisted homobilayer with the same stacking symmetry.

cond-mat.mes-hall↗

arXiv2025

Itinerant Magnetism in Twisted Bilayer WSe$_2$ and MoTe$_2$

Using a self-consistent Hartree-Fock theory, we show that the recently observed ferromagnetism in twisted bilayer WSe$_2$ [Nat. Commun. 16, 1959 (2025)] can be understood as a Stoner-like instability of interaction-renormalized moiré bands. We quantitatively reproduce the observed Lifshitz transition as function of hole filling and applied electric field that marks the boundary between layer-hybridized and layer-polarized regimes. The former supports a ferromagnetic valley-polarized ground state below half-filling, developing a topological charge gap at half-filling for smaller twist angles. At larger twist angles, the system hosts a gapped triangular Néel antiferromagnet. On the other hand, the layer-polarized regime supports a stripe antiferromagnet below half-filling and a wing-shaped multiferroic ground state above half-filling. We map the evolution of these states as a function of filling factor, electric field, twist angle, and interaction strength. Our results demonstrate that long-range exchange in a symmetry-unbroken parent state with strongly renormalized moiré bands provides a broadly applicable framework to understand itinerant magnetism in moiré TMDs.

cond-mat.str-el↗

arXiv2025

Role of electron-electron interactions in $M$-valley twisted transition metal dichalcogenides

We investigate the role of long-range Coulomb interactions in $M$-valley moirés using the self-consistent Hartree-Fock approximation. This platform was recently proposed [Nature 643, 376 (2025) and arXiv:2411.18828 (2024)] as a new class of experimentally realizable moiré materials using twisted transition metal dichalcogenides homobilayers with the 1T structure. While these seminal studies considered the noninteracting theory without an electric displacement field, this work shows that both electron-electron interactions at finite doping and an interlayer bias strongly modify the moiré bands. For small twists ($\lesssim 5^\circ$) the density of states versus filling and interlayer bias displays qualitatively different behavior for twisting near aligned ($0^\circ$) and antialigned ($60^\circ$) stacking with tunable Van Hove singularities (VHSs). Moreover, interactions pin the VHS to the Fermi energy over a finite range of doping both at zero and finite bias depending on the stacking type, an effect known to enhance both superconductivity and strongly correlated states. At half filling, we obtain the phase diagram as a function of interaction strength, interlayer bias, and twist angle. We find a competition driven by band mixing between an isotropic ferromagnet and an antiferromagnet that are nearly degenerate over a wide range of experimentally accessible parameters. Our work demonstrates that correlated states in $M$-valley 1T tTMDs can be strongly tuned in situ both by applying an electric displacement field and by electron doping.

cond-mat.mes-hall↗

arXiv2025

Squeezing Quantum States in Three-Dimensional Twisted Crystals

A fundamental idea in wave mechanics is that propagation in a periodic medium can be described by Bloch waves whose conserved crystal momenta define their transformations when displaced by the set of discrete lattice translations. In ordered materials where incommensurate spatial periods compete, this general principle is rendered ineffective, often with dramatic consequences. Examples are crystals with broken symmetries from charge or spin density waves, quasiperiodic lattices that produce diffraction patterns with crystallographically forbidden point symmetries, and stacks of two-dimensional lattices with a relative rotation (twist) between layers. In special cases when there is a small difference between the competing periods, a useful work-around is a continuum description where a periodic long-wavelength field produces Bragg scattering that coherently mixes short-wavelength carrier waves. In this work, we advocate an alternative approach to study three-dimensional twisted crystals that replaces their spectrally congested momentum-space Bloch band structures with a representation using squeezed coherent states in a Fock space of free-particle vortex states. This reorganization of the Hilbert space highlights the crucial role of the Coriolis force in the equations of motion that leads to unconventional phase space dynamics and edge state structure generic to a family of complex crystals.

cond-mat.mes-hall↗

arXiv2025

Elastic Screening of Pseudogauge Fields in Graphene

Lattice deformations in graphene couple to the low-energy electronic degrees of freedom as effective scalar and gauge fields. Using molecular dynamics simulations, we show that the optical component of the displacement field, i.e., the relative motion of different sublattices, contributes at equal order as the acoustic component and effectively screens the pseudogauge fields. In particular, we consider twisted bilayer graphene and corrugated monolayer graphene. In both cases, optical lattice displacements significantly reduce the overall magnitude of the pseudomagnetic fields. For corrugated graphene, optical contributions also reshape the pseudomagnetic field and significantly modify the electronic bands near charge neutrality. Previous studies based on continuum elasticity, which ignores this effect, have therefore systematically overestimated the strength of the strain-induced pseudomagnetic field. Our results have important consequences for the interpretation of experiments and design of straintronic applications.

cond-mat.mes-hall↗

arXiv2025

Nodal lines in a honeycomb plasmonic crystal with synthetic spin

We analyze a plasmonic model on a honeycomb lattice of metallic nanodisks that hosts nodal lines protected by local symmetries. Using both continuum and tight-binding models, we show that a combination of a synthetic time-reversal symmetry, inversion symmetry, and particle-hole symmetry enforce the existence of nodal lines enclosing the $\mathrm{K}$ and $\mathrm{K}'$ points. The nodal lines are not directly gapped even when these symmetries are weakly broken. The existence of the nodal lines is verified using full-wave electromagnetic simulations. We also show that the degeneracies at nodal lines can be relieved by introducing a Kekulé distortion that acts to mix the nodal lines near the $\mathrm{K},\mathrm{K}'$ points. Our findings open pathways for designing novel plasmonic and photonic devices without reliance on complex symmetry engineering, presenting a convenient platform for studying nodal structures in two-dimensional systems.

physics.optics↗

arXiv2024

Analytical Model for Atomic Relaxation in Twisted Moiré Materials

By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals. Here we develop an analytical theory of lattice relaxation in twisted moiré materials. We obtain analytical results for the lattice displacements and corresponding pseudo gauge fields, as a function of twist angle. We benchmark our results for twisted bilayer graphene and twisted WSe$_2$ bilayers using large-scale molecular dynamics simulations. Our \textit{single-parameter} theory is valid in graphene bilayers for twist angles $θ~\gtrsim 0.7^\circ$, and in twisted WSe$_2$ for $θ~\gtrsim 1.6^\circ$. We also investigate how relaxation alters the electronic structure in twisted bilayer graphene, providing a simple extension to the continuum model to account for lattice relaxation.

cond-mat.str-el↗

arXiv2024

Floquet-Bloch Theory for Nonperturbative Response to a Static Drive

We develop the Floquet-Bloch theory of noninteracting fermions on a periodic lattice in the presence of a constant electric field. As long as the field lies along a reciprocal lattice vector, time periodicity of the Bloch Hamiltonian is inherited from the evolution of momentum in the Brillouin zone. The corresponding Floquet quasienergies yield the Wannier-Stark ladder with interband couplings included to all orders. These results are compared to perturbative results where the lowest-order interband correction gives the field-induced polarization shift in terms of the electric susceptibility. Additionally, we investigate electronic transport by coupling the system to a bath within the Floquet-Keldysh formalism. We then study the breakdown of the band-projected theory from the onset of interband contributions and Zener resonances in the band-resolved currents. In particular, we consider the transverse quantum-geometric response in two spatial dimensions due to the Berry curvature. In the strong-field regime, the semiclassical theory predicts a plateau of the geometric response as a function of field strength. Here, we scrutinize the conditions under which the semiclassical results continue to hold in the quantum theory.

cond-mat.mes-hall↗

arXiv2023

Roses in the Nonperturbative Current Response of Artificial Crystals

In two-dimensional artificial crystals with large real-space periodicity, the nonlinear current response to a large applied electric field can feature a strong angular dependence, which encodes information about the band dispersion and Berry curvature of isolated electronic Bloch minibands. Within the relaxation-time approximation, we obtain analytic expressions up to infinite order in the driving field for the current in a band-projected theory with time-reversal and trigonal symmetry. For a fixed field strength, the dependence of the current on the direction of the applied field is given by rose curves whose petal structure is symmetry constrained and is obtained from an expansion in real-space translation vectors. We illustrate our theory with calculations on periodically-buckled graphene and twisted double bilayer graphene, wherein the discussed physics can be accessed at experimentally-relevant field strengths.

cond-mat.mes-hall↗

arXiv2023

Berry Curvature Spectroscopy from Bloch Oscillations

Artificial crystals such as moiré superlattices can have a real-space periodicity much larger than the underlying atomic scale. This facilitates the presence of Bloch oscillations in the presence of a static electric field. We demonstrate that the optical response of such a system, when dressed with a static field, becomes resonant at the frequencies of Bloch oscillations, which are in the terahertz regime when the lattice constant is of the order of 10 nm. In particular, we show within a semiclassical band-projected theory that resonances in the dressed Hall conductivity are proportional to the lattice Fourier components of the Berry curvature. We illustrate our results with a low-energy model on an effective honeycomb lattice.

cond-mat.mes-hall↗

arXiv2023

Quantum Geometric Oscillations in Two-Dimensional Flat-Band Solids

Two-dimensional van der Waals heterostructures can be engineered into artificial superlattices that host flat bands with significant Berry curvature and provide a favorable environment for the emergence of novel electron dynamics. In particular, the Berry curvature can induce an oscillating trajectory of an electron wave packet transverse to an applied static electric field. Though analogous to Bloch oscillations, this novel oscillatory behavior is driven entirely by quantum geometry in momentum space instead of band dispersion. While the orbits of Bloch oscillations can be localized by increasing field strength, the size of the geometric orbits saturates to a nonzero plateau in the strong-field limit. In non-magnetic materials, the geometric oscillations are even under inversion of the applied field, whereas the Bloch oscillations are odd, a property that can be used to distinguish these two co-existing effects.

cond-mat.mes-hall↗

arXiv2022

Network model for periodically strained graphene

The long-wavelength physics of monolayer graphene in the presence of periodic strain fields has a natural chiral scattering network description. When the strain field varies slowly compared to the graphene lattice and the effective magnetic length of the induced valley pseudomagnetic field, the low-energy physics can be understood in terms of valley-polarized percolating domain-wall modes. Inspired by a recent experiment, we consider a strain field with threefold rotation and mirror symmetries but without twofold rotation symmetry, resulting in a system with the connectivity of the oriented kagome network. Scattering processes in this network are captured by a symmetry-constrained phenomenological $S$ matrix. We analyze the phase diagram of the kagome network, and show that the bulk physics of the strained graphene can be qualitatively captured by the network when we account for a percolation transition at charge neutrality. We also discuss the limitations of this approach to properly account for boundary physics.

cond-mat.mes-hall↗

arXiv2022

Boundary Modes from Periodic Magnetic and Pseudomagnetic Fields in Graphene

Single-layer graphenes subject to periodic lateral strains are artificial crystals that can support boundary spectra with an intrinsic polarity. These are analyzed by comparing the effects of periodic magnetic fields and strain-induced pseudomagnetic fields that respectively break and preserve time-reversal symmetry. In the former case, a Chern classification of the superlattice minibands with zero total magnetic flux enforces {\it single} counter-propagating modes traversing each bulk gap on opposite boundaries of a nanoribbon. For the pseudomagnetic field, pairs of counter-propagating modes migrate to the {\it same} boundary where they provide well-developed valley-helical transport channels on a single zigzag edge. We discuss possible schemes for implementing this situation and their experimental signatures.

cond-mat.mes-hall↗

arXiv2021

Intrinsic Fermi Surface Contribution to the Bulk Photovoltaic Effect

We study the Fermi surface contribution to the nonlinear DC photocurrent at quadratic order in a spatially uniform optical field in the ultra-clean limit. In addition to shift and injection current, we find that polarized light incident on a metallic system generates an intrinsic contribution to the bulk photovoltaic effect deriving from photoinduced electronic transitions on the Fermi surface. In {velocity} gauge, this contribution originates in both the coherent band off-diagonal and diagonal parts of the density matrix, describing respectively, the coherent wave function evolution and the carrier dynamics of an excited population. We derive a formula for the intrinsic Fermi surface contribution for a time-reversal invariant chiral Weyl semimetal illuminated with circularly-polarized light. At low frequency, this response is proportional to the frequency of the driving field, with its sign determined by the topological charge of the Weyl nodes and with its magnitude being comparable to the recently discovered quantized circular photogalvanic effect. Our work presents a complete derivation for all contributions to nonlinear DC photocurrent and classify them according to the polarization of light in the presence and absence of TRS.

cond-mat.mtrl-sci↗

arXiv2021

Anomalous Electrodynamics and Quantum Geometry in the Dirac-Harper model for a Graphene Bilayer

Graphene bilayers with layer antisymmetric strains are studied using the Dirac-Harper model for a pair of single layer Dirac Hamiltonians coupled by a one-dimensional moiré-periodic interlayer tunneling amplitude. This model hosts low energy, nearly dispersionless bands near charge neutrality that support anomalous polarizations of its charge multipole distributions. These are analyzed introducing a generalized Berry curvature that encodes the field-induced dynamics of multipole fields allowed in a chiral medium with time reversal symmetry. The formulation identifies a reciprocity relation between responses to layer-symmetric and layer-antisymmetric in-plane electric fields and reveals momentum-space quantum oscillations produced by a spatial pattern of band inversions on the moiré scale.

cond-mat.mes-hall↗

arXiv2021

Broadband Focusing of Acoustic Plasmons in Graphene with an Applied Current

Non-reciprocal plasmons in current-driven, isotropic, and homogenous graphene with proximal metallic gates is theoretically explored. Nearby metallic gates screen the Coulomb interactions, leading to linearly dispersive acoustic plasmons residing close to its particle-hole continuum counterpart. We show that the applied bias leads to spectral broadband focused plasmons whose resonance linewidth is dependent on the angular direction relative to the current flow due to Landau damping. We predict that forward focused non-reciprocal plasmons are possible with accessible experimental parameters and setup.

cond-mat.mes-hall↗

arXiv2021

Imaging the Néel vector switching in the monolayer antiferromagnet MnPSe$_3$ with strain-controlled Ising order

The family of monolayer two-dimensional (2D) materials hosts a wide range of interesting phenomena, including superconductivity, charge density waves, topological states and ferromagnetism, but direct evidence for antiferromagnetism in the monolayer has been lacking. Nevertheless, antiferromagnets have attracted enormous interest recently in spintronics due to the absence of stray fields and their terahertz resonant frequency. Despite the great advantages of antiferromagnetic spintronics, controlling and detecting Néel vectors have been limited in bulk materials. In this work, we developed a sensitive second harmonic generation (SHG) microscope and detected long-range Néel antiferromagnetic (AFM) order and Néel vector switching down to the monolayer in MnPSe$_3$. Temperature-dependent SHG measurement in repetitive thermal cooling surprisingly collapses into two curves, which correspond to the switching of an Ising type Néel vector reversed by the time-reversal operation, instead of a six-state clock ground state expected from the threefold rotation symmetry in the structure. We imaged the spatial distribution of the Néel vectors across samples and rotated them by an arbitrary angle irrespective of the lattice in the sample plane by applying strain. By studying both a Landau theory and a microscopic model that couples strain to nearest-neighbor exchange, we conclude that the phase transition of the XY model in the presence of strain falls into the Ising universality class instead of the XY one, which could explain the extreme strain tunability. Finally, we found that the 180° AFM domain walls are highly mobile down to the monolayer after thermal cycles, paving the way for future control of the antiferromagnetic domains by strain or external fields on demand for ultra-compact 2D AFM terahertz spintronics.

cond-mat.mtrl-sci↗

arXiv2021

Giant topological longitudinal circular photo-galvanic effect in the chiral multifold semimetal CoSi

The absence of mirror symmetry, or chirality, is behind striking natural phenomena found in systems as diverse as DNA and crystalline solids. A remarkable example occurs when chiral semimetals with topologically protected band degeneracies are illuminated with circularly polarized light. Under the right conditions, the part of the generated photocurrent that switches sign upon reversal of the light's polarization, known as the circular photogalvanic effect, is predicted to depend only on fundamental constants. The conditions to observe quantization are non-universal, and depend on material parameters and the incident frequency. In this work, we perform terahertz emission spectroscopy with tunable photon energy from 0.2 eV - 1.1 eV in the chiral topological semimetal CoSi. We identify a large longitudinal photocurrent peaked at 0.4 eV reaching $\sim$ 550 $μA/V^{2}$, which is much larger than the photocurrent in any chiral crystal reported in the literature. Using first-principles calculations we establish that the peak originates from topological band crossings, reaching 3.3$\pm$0.3 in units of the quantization constant. Our calculations indicate that the quantized CPGE is within reach in CoSi upon doping and increase of the hot-carrier lifetime. The large photo-conductivity suggests that topological semimetals could potentially be used as novel mid-infrared detectors.

cond-mat.mtrl-sci↗