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The dynamical phase transition of a system with two coexisting competing order parameters is studied using the time-dependent-Ginzburg-Landau framework. The dynamics are induced by parameters capturing the physics of driving the system with an ultrafast laser pulse. A remarkable enhancement of the order parameter with a smaller mean-field value following the pump and the emergence of an induced metastable state is investigated through analytical and numerical studies. The effect of order parameter fluctuations on the exploration of the nonequilibrium free energy landscape reveals important information about the impact of both thermal and nonthermal fluctuations on the dynamics of the metastable state. Our results provide an interpretation of previously unexplained ultrafast experiments on superconductors with competing charge density wave order. Our formalism is relevant across broad classes of out-of-equilibrium systems beyond the condensed matter context, such as the Kibble-Zurek cosmological model., Comment: 11 pages, 5 figures

The manganese pnictide CaMn$_2$Bi$_2$, with Mn atoms arranged in a puckered honeycomb structure, exhibits narrow-gap antiferromagnetism, and it is currently a promising candidate for the study of complex electronic and magnetic phenomena, such as magnetotransport effects and potential spin spirals under high pressure. In this paper, we perform a detailed research of the magnetic properties of CaMn$_2$Bi$_2$ using density functional theory (DFT) combined with the Hubbard U correction and spin-orbit coupling, which accurately describe the magnetic interactions. Our results obtained for a large number of magnetic configurations are accurately captured by a modified Heisenberg model that includes on-site magnetization terms to describe magnetic energy excitations. We further investigate the role of the spin-orbit coupling, and find that the magnetic anisotropy of CaMn$_2$Bi$_2$ shows an easy plane, with the preferred magnetization direction being exchanged between axes in the plane by applying small strain values. This strain-tunable magnetization, driven by the interplay between spin-orbit interactions and lattice distortions, highlights the potential for controlling magnetic states in Mn-pnictides for future applications in spintronic and magnetoelectric devices.

We theoretically study the impact of light-driven structural changes via nonlinear phononics on the magnetic order of untwisted bilayer van der Waals materials. We consider an illustrative example of the AA-stacked bilayer honeycomb lattice and show that high-intensity light in resonance with selected phonons induces large amplitude phonon displacements that modify the magnetic Hamiltonian of the system. We performed a group theory analysis to identify the vibrational modes of the honeycomb bilayer and the nonlinear couplings among them in the strongly driven regime. We find that the structural changes in the strongly driven regime lower the symmetry relative to the equilibrium lattice and produce changes in the magnetic interactions between the local moments. In particular, the lattice symmetry changes permit a non-zero interlayer Dzyaloshinskii-Moriya interaction that induces a magnetic state with canted local moments. Using a spin-wave analysis about the new magnetic configuration we study the corresponding changes in the magnon spectrum and identify a protocol for engineering topological band transitions using a combination of nonlinear phononics and an external magnetic field. Our work suggests a strategy to induce interlayer Dyzaloshinskii-Moriya interactions in a class of layered van der Waals materials, the effect of which is to modify the magnetic ground state, magnon dispersions, and related band geometric properties, including topological invariants.

We theoretically study the nonlinear optical response of ABC trilayer graphene with inversion symmetry broken by the application of a displacement field perpendicular to the trilayer. We show that rhombohedral trilayer graphene exhibits a large bulk photovoltaic effect arising from a DC shift current response. The conductivity of the trilayer contains features similar to AB bilayer graphene as well as features distinct from AB bilayer graphene. The new features of ABC trilayer graphene relative to AB bilayer graphene arise from the quantum geometric features of the electronic band structure and can be tuned by varying the displacement field. We focus on a regime of displacement field where certain band gaps close and reopen away from the charge neutrality point leading to drastic changes in the quantum geometric structure in momentum space, a feature characteristic of the trilayer graphene band structure. These features manifest as a sign change in shift current conductivity in a certain frequency window and can thus serve as a probe of quantum geometry., Comment: 15 pages, 12 figures

We consider a planar superconducting-normal-metal (SN) junction with both inelastic and spin-flip scattering processes present. In the diffusive limit, we use a one-dimensional formulation of the Usadel equation to compute the self-consistent energy dependence of the single-particle density of states as a function of distance from the interface on both the superconducting and metallic sides for various spatial profiles of a pair-breaking spin-flip term. The pair-breaking processes fill in the superconducting gap at zero energy, which is reflected in the zero-bias tunneling conductance in scanning tunneling microscopy/spectroscopy experiments, in the vicinity of the junction. We also investigate the impact of having a partially transparent interface at the junction. We compare our findings with the observed exponential rise in the zero-bias conductance at the 1H step edge in recent experiments on 4Hb-TaS$_2$ [A. K. Nayak et al., Nat. Phys. 17, 1413 (2021)]., Comment: 12 pages, 11 figures

We theoretically study the conditions under which a spin Nernst effect - a transverse spin current induced by an applied temperature gradient - can occur in a canted antiferromagnetic insulator, such as ${\rm LaFeO_3}$ and other materials of the same family. The spin Nernst effect may provide a microscopic mechanism for an experimentally observed anomalous thermovoltage in ${\rm LaFeO_3}$/Pt heterostructures, where spin is transferred across the insulator/metal interface when a temperature gradient is applied to ${\rm LaFeO_3}$ parallel to the interface [W. Lin ${\it et \; al}$, Nat. Phys. ${\bf 18}$, 800 (2022)]. We find that ${\rm LaFeO_3}$ exhibits a topological spin Nernst effect when inversion symmetry is broken on the axes parallel to both the applied temperature gradient and the direction of spin transport, which can result in a spin injection across the insulator/metal interface. Our work provides a general derivation of a symmetry-breaking-induced spin Nernst effect, which may open a path to engineering a finite spin Nernst effect in systems where it would otherwise not arise.

We theoretically study first and second-order optical responses in a transition metal dichalcogenide monolayer with distinct trivial, nodal, and time-reversal invariant topological superconducting (TRITOPS) phases. We show that the second-order DC response, also known as the photogalvanic response, contains signatures for differentiating these phases while the first-order optical response does not. We find that the high-frequency photogalvanic response is insensitive to the phase of the system, while the low-frequency response exhibits features distinguishing the three phases. At zero doping, corresponding to an electron filling in which the Fermi level lies at nodal points, there are opposite sign zero-frequency divergences in the response when approaching the nodal phase boundaries from the trivial and the TRITOPS phases. In the trivial phase, both the high-frequency and low-frequency response of the system are negative, but in the TRITOPS phase, the low-frequency response becomes positive while the high-frequency response remains negative. Furthermore, since phase transitions are controlled by the Rashba spin-orbit coupling and the ratio of intra-orbital and inter-orbital paring amplitudes, our results not only help distinguish the phases but can also provide an estimate of the pairing amplitudes based on the photogalvanic response of the system., Comment: 13 pages, 9 figures

Doublon-holon dynamics is investigated in a pumped one-dimensional Hubbard model with a staggered on?site Coulomb interaction at half-filling. When the system parameters are set to be in the Mott insulating regime the equilibrium sublattice density of states exhibits several characteristic peaks, corresponding to the lower and upper Hubbard bands as well as hybridization bands. We study the linear absorption spectrum and find two main peaks characterizing the photon frequencies which excite the ground state to an excited state. For a system driven by a laser pulse with general intensity and frequency, both the energy absorption and the doublon-holon dynamics exhibit distinct behaviors as a function of laser amplitude and frequency. Single-photon processes are observed at low laser intensity where the energy is absorbed for resonance laser frequencies. For strong laser intensity multi-photon induced dynamics are observed in the system, which are confirmed by an evaluation of the Loschmidt amplitude. The contribution of multi-photon processes to site-specific double occupancy is also characterized by the generalized Loschmidt amplitude. The site-selective doublon-holon dynamics are observed in both the one and multi-photon processes and the site-selective behavior is explained within a quasiparticle picture. Our study suggests strategies to optically engineer the doublon-holon dynamics in one dimensional strongly correlated many-body systems., Comment: 10 pages, 7 figures

Circularly polarized lattice vibrations carry angular momentum and lead to magnetic responses in applied magnetic fields or when resonantly driven with ultrashort laser pulses. Recent measurements have found responses that are orders of magnitude larger than those calculated in prior theoretical studies. Here, we present a microscopic model for the effective magnetic moments of chiral phonons in magnetic materials that is able to reproduce the experimentally measured magnitudes and that allows us to make quantitative predictions for materials with giant magnetic responses using microscopic parameters. Our model is based on orbit-lattice couplings that hybridize optical phonons with orbital electronic transitions. We apply our model to two types of materials: $4f$ rare-earth halide paramagnets and $3d$ transition-metal oxide magnets. In both cases, we find that chiral phonons can carry giant effective magnetic moments of the order of a Bohr magneton, orders of magnitude larger than previous predictions.

We have studied the terahertz response of a bulk single crystal of La$_{0.875}$Sr$_{0.125}$MnO$_3$ at around its Curie temperature, observing large changes in the real and imaginary parts of the optical conductivity as a function of magnetic field. The terahertz resistance and capacitance extracted from the optical conductivity rapidly increased with increasing magnetic field and did not show any sign of saturation up to 6 T, reaching 60% and 15%, respectively, at 180 K. The observed terahertz colossal magnetoresistance and magnetocapacitance effects can be qualitatively explained by using a two-component model that assumes the coexistence of two phases with vastly different conductivities. These results demonstrate the potential use of perovskite manganites for developing efficient terahertz devices based on magnetic modulations of the amplitude and phase of terahertz waves., Comment: 7 pages, 6 figures

We investigate the dependence of the photogalvanic response of a multi-Weyl semimetal on its topological charge, tilt, and chemical potential. We derive analytical expressions for the shift and injection conductivities for tilted charge-$n$ Weyl points $(n=1,2,3)$ using a low energy two-band effective Hamiltonian. For double-Weyl semimetals, we also compute the response from two-band and four-band tight-binding models with broken time-reversal symmetry to study the effect of band bending and the contributions from higher bands. We find a significant deviation in the responses obtained from the effective low-energy continuum model and more realistic four-band continuum and tight-binding models. We analyze several different limits of these models. We describe the nature of the deviations and provide estimates of their dependence on the frequency and other model parameters. Our analysis provides a simple explanation for the first-principle calculation based frequency dependence of the injection current in SrSi$_2$. Additionally, we find interesting parameter regimes where the frequency dependence of the non-linear optical response can be directly used to probe the type-I/type-II nature of the Weyl cone. We obtain analytical results for the charge-4 Weyl semimetal by reducing the original problem involving a triple $k$-space integral to one with only a double integral. This simplification allows us to extract all relevant information about the nature of its second-order dc response and the precise condition for observing circular photogalvanic effect quantization. The semi-analytical approach presented here can also be extended to a systematic study of second harmonic generation and first-order optical conductivity in charge-4 Weyl semimetals., Comment: 16 pages, 7 figures, references added, typos corrected

Motivated by the observation and prediction of clustering behavior for impurities substituted into the host lattice of a real material, and the dramatic impact this can have on electronic properties, we develop a simple approach to describe such an effect via the electron self-energy. We employ a disorder averaged T-matrix expansion taken to second order, which we modify to include a clustering probability parameter. This approach circumvents the need for specific cluster probability distributions, simplifying greatly the analysis of clustered impurities. To gain analytical insights, we study a nearest-neighbor square lattice tight-binding Hamiltonian with clustered impurity substitutions to investigate clustering of off-diagonal hopping impurities. We find that our T-matrix approach is in excellent agreement with exact numerical results from a tight-binding computation performed with the KWANT package. We observe a variety of interesting impurity clustering-induced effects in the self-energy such as the suppression of quasi-particle lifetimes at certain momenta and an increase in localization, as indicated by the inverse participation ratio. The KWANT results are reproduced in our modified T-matrix approach. In addition, our method allows for a full analytical treatment of clustering effects which can aid in physical insight., Comment: 8 pages, 6 figures

Using the time-dependent Lanczos method, we study the non-equilibrium dynamics of the one-dimensional ionic-mass imbalanced Hubbard chain driven by a quantum quench of the on-site Coulomb interaction, where the system is prepared in the ground state of the Hamiltonian with a different Hubbard interaction. A full exact diagonalization is adopted to study the zero temperature phase diagram in equilibrium, which is shown to be in good agreement with previous studies using density matrix renormalization group (DMRG). We then study the non-equilibrium quench dynamics of the spin and charge order parameters by fixing the initial and final Coulomb interaction while changing the quenching time protocols. The Lanczos method allows us to reach longer times following the quench than DMRG. Our study shows that the time evolution of the charge and spin order parameters strongly depend on the quenching time protocols. In particular, the effective temperature of the system will decrease monotonically as the quenching time is increased. Finally, by taking the final Coulomb interaction strength to be in the strong coupling regime, we find that the oscillation frequency of the charge order parameter increases monotonically with the Coulomb interaction. By contrast, the frequency of the spin order parameter decreases monotonically with increasing Coulomb interaction. We explain this result using an effective spin model in the strong coupling limit. Our study suggests strategies to engineer the relaxation behavior of interacting quantum many-particle systems., Comment: 9 pages, 6 figures

We have studied the magnetic response of transverse optical phonons in Pb$_{1-x}$Sn$_{x}$Te films. Polarization-dependent terahertz magnetospectroscopy measurements revealed Zeeman splittings and diamagnetic shifts, demonstrating that these phonon modes become chiral in magnetic fields. Films in the topological crystalline insulator phase ($x > 0.32$) exhibited magnetic moment values that are larger than those for topologically trivial films ($x < 0.32$) by two orders of magnitude. Furthermore, the sign of the effective $g$-factor was opposite in the two phases, which can be explained by our theoretical model. These results strongly indicate the existence of interplay between the magnetic properties of chiral phonons and the topology of electronic band structure., Comment: 6 pages, 3 figures, see Supplemental Material in the Ancillary directory

Motivated by rapid developments in the field of quantum computing and the increasingly diverse nature of qubits, we theoretically study the influence that quenched outside disturbances have in an intermediately long time limit. We consider localized imperfections, uniform fields, noise, and couplings to an environment which we study in a unified framework using a prototypical but idealized interacting quantum device - the Kitaev honeycomb model. Our study focuses on the quantum state robustness in response to an outside magnetic field, a magnetic bath, magnetic noise, magnetic impurities, and a noisy impurity. As indicators for quantum robustness, we use the Uhlmann fidelty of the ground state and excited spinon states after a quench. We find that the time dependence of the fidelity often depends crucially on whether the system is gapped. We find that in the gapped case the fidelity decays to a constant value under noiseless quenches, while in a gapless system it exhibits algebraic decay. In all other situations studied, such as coupling to a bath and noisy quenches, both gapped and gapless systems exhibit a universal form for the long-time fidelity, $Ce^{-\alpha t}t^{-\beta}$, where the values of $C$, $\alpha$, and $\beta$ depend on physical parameters such as system size, disturbance strength, etc. Therefore, our work provides estimates for the intermediate-long time stability of a quantum device and it suggests under what conditions there appear the hallmarks of an orthogonality catastrophe in the time-dependence of the fidelity. Our work provides engineering guidelines for quantum devices in quench design and system size.

Symmetry-protected topological crystalline insulators (TCIs) have primarily been characterized by their gapless boundary states. However, in time-reversal- ($\mathcal{T}$-) invariant (helical) 3D TCI$\unicode{x2014}$termed higher-order TCIs (HOTIs)$\unicode{x2014}$the boundary signatures can manifest as a sample-dependent network of 1D hinge states. We here introduce nested spin-resolved Wilson loops and layer constructions as tools to characterize the intrinsic bulk topological properties of spinful 3D insulators. We discover that helical HOTIs realize one of three spin-resolved phases with distinct responses that are quantitatively robust to large deformations of the bulk spin-orbital texture: 3D quantum spin Hall insulators (QSHIs), "spin-Weyl" semimetals, and $\mathcal{T}$-doubled axion insulator (T-DAXI) states with nontrivial partial axion angles indicative of a 3D spin-magnetoelectric bulk response and half-quantized 2D TI surface states originating from a partial parity anomaly. Using ab-initio calculations, we demonstrate that $\beta$-MoTe$_2$ realizes a spin-Weyl state and that $\alpha$-BiBr hosts both 3D QSHI and T-DAXI regimes., Comment: Final version: 22+146 pages, 8+44 figures. Nested and spin-resolved Wilson loop code with example scripts and documentation freely available at https://github.com/kuansenlin/nested_and_spin_resolved_Wilson_loop

Motivated by the recent excitement around the physics of twisted transition metal dichalcogenide (TMD) multilayer systems, we study strongly correlated phases of TMD heterobilayers under the influence of light. We consider both waveguide light and circularly polarized light. The former allows for longitudinally polarized light, which in the high frequency limit can be used to selectively modify interlayer hoppings in a tight-binding model. We argue based on quasi-degenerate perturbation theory that changes to the interlayer hoppings can be captured as a modulation to the strength of the moir\'e potential in a continuum model. As a consequence, waveguide light can be used to drive transitions between a myriad of different magnetic phases, including a transition from a $120^\circ$ Neel phase to a stripe ordered magnetic phase, or from a spin density wave phase to a paramagnetic phase, among others. When the system is subjected to circularly polarized light we find that the effective mass of the active TMD layer is modified by an applied electromagnetic field. By simultaneously applying waveguide light and circularly polarized light to a system, one has a high level of control in moving through the phase diagram in-situ. Lastly, we comment on the experimental feasibility of Floquet state preparation and argue that it is within reach of available techniques when the system is coupled to a judiciously chosen bath., Comment: J. Phys.: Condens. Matter 2022

The extension of the topological classification of band insulators to topological semimetals gave way to the topology classes of Dirac, Weyl, and nodal line semimetals with their unique Fermi arc and drum head boundary modes. Similarly, there are several suggestions to employ the classification of topological superconductors for topological nodal superconductors with Majorana boundary modes. Here, we show that the surface 1H termination of the transition metal dichalcogenide compound 4Hb-TaS$_2$, in which 1T-TaS$_2$ and 1H-TaS$_2$ layers are interleaved, has the phenomenology of a topological nodal point superconductor. We find in scanning tunneling spectroscopy a residual density of states within the superconducting gap. An exponentially decaying bound mode is imaged within the superconducting gap along the boundaries of the exposed 1H layer characteristic of a gapless Majorana edge mode. The anisotropic nature of the localization length of the edge mode aims towards topological nodal superconductivity. A zero-bias conductance peak is further imaged within fairly isotropic vortex cores. All our observations are accommodated by a theoretical model of a two-dimensional nodal Weyl-like superconducting state, which ensues from inter-orbital Cooper pairing. The observation of an intrinsic topological nodal superconductivity in a layered material will pave the way for further studies of Majorana edge modes and its applications in quantum information processing., Comment: initial submission

Structural, electronic and magnetic properties of bulk ilmenite CoTiO$_3$ are analyzed in the framework of density functional theory (DFT), using the generalized gradient approximation (GGA) and Hubbard-corrected approaches. We find that the G-type antiferromagnetic (G-AFM) structure, which consists of antiferromagnetically coupled ferromagnetic $ab$ planes, is the ground-state of the system, in agreement with experiments. Furthermore, cobalt titanates present two critical temperatures related to the breaking of the inter- and intra-layer magnetic ordering. This would result in the individual planes remaining ferromagnetic even at temperatures above the N\'{e}el temperature. When spin-orbit coupling is included in our calculations, we find an out-of-plane magnetic anisotropy, which can be converted to an in-plane anisotropy with a small doping of electrons corresponding to about 2.5% Ti substitution for Co, consistent with experimental expectations. We thus present a disorder-dependent study of the magnetic anisotropy in bulk $\text{CoTiO}_3$, which will determine its magnon properties, including topological aspects.

In this work, we study the real-time evolution of periodically driven (Floquet) systems on a quantum computer using IBM quantum devices. We consider a driven Landau-Zener model and compute the transition probability between the Floquet steady states as a function of time. We find that for this simple one-qubit model, Floquet states can develop in real-time, as indicated by the transition probability between Floquet states. Next, we model light-driven spin chains and compute the time-dependent antiferromagnetic order parameter. We consider models arising from light coupling to the underlying electrons as well as those arising from light coupling to phonons. For the two-spin chains, the quantum devices yield time evolutions that match the effective Floquet Hamiltonian evolution for both models once readout error mitigation is included. For three-spin chains, zero-noise extrapolation yields a time dependence that follows the effective Floquet time evolution. Therefore, the current IBM quantum devices can provide information on the dynamics of small Floquet systems arising from light drives once error mitigation procedures are implemented., Comment: 19 pages, 16 figures

Motivated by the ever-improving performance of deep learning techniques, we design a mixed input convolutional neural network approach to predict transport properties in deformed nanoscale materials using a height map of deformations (from scanning probe information) as input. We employ our approach to study electrical transport in a graphene nanoribbon deformed by a number of randomly positioned nano-bubbles. Our network is able to make conductance predictions valid to an average error of 4.3\%. We demonstrate that such low average errors are achieved by including additional inputs like energy in a highly redundant fashion, which allows predictions that are 30-40\% more accurate than conventional architectures. We demonstrate that the same method can learn to predict the valley-resolved conductance, with success specifically in identifying the energy at which inter-valley scattering becomes prominent. We demonstrate the robustness of the approach by testing the pre-trained network on samples with deformations differing in number and shape from the training data. We employ a graph theoretical analysis of the structure and outputs of the network and conclude that a tight-binding Hamiltonian is effectively encoded in the first layer of the network. We confirm our graph theoretical analysis numerically for different hopping processes in a trained network and find the result to be accurate within an error of 1\%. Our approach contributes a new theoretical understanding and a refined methodology to the application of deep learning for the determination transport properties based on real-space disorder information., Comment: 15 pages, 12 figures

We theoretically study the effect of low-frequency light pulses in resonance with phonons in the topological and magnetically ordered two septuple-layer (2-SL) MnBi2Te4 (MBT) and MnSb2Te4 (MST). These materials share symmetry properties and an antiferromagnetic ground state in pristine form but present different magnetic exchange interactions. In both materials, shear and breathing Raman phonons can be excited via non-linear interactions with photo-excited infrared phonons using intense laser pulses attainable in current experimental setups. The light-induced transient lattice distortions lead to a change in the sign of the effective interlayer exchange interaction and magnetic order accompanied by a topological band transition. Furthermore, we show that moderate anti-site disorder, typically present in MBT and MST samples, can facilitate such an effect. Therefore, our work establishes 2-SL MBT and MST as candidate platforms to achieve non-equilibrium magneto-topological phase transitions., Comment: 23 pages, 6 figures

We theoretically study magnon-phonon hybrid excitations (magnon-polarons) in two-dimensional antiferromagnets on a honeycomb lattice. With an in-plane Dzyaloshinskii-Moriya interaction (DMI) allowed from mirror symmetry breaking from phonons, we find non-trivial Berry curvature around the anti-crossing rings among magnon and both optical and acoustic phonon bands, which gives rise to finite Chern numbers. We show that the Chern numbers of the magnon-polaron bands can be manipulated by changing the magnetic field direction or strength. We evaluate the thermal Hall conductivity reflecting the non-trivial Berry curvatures of magnon-polarons and propose a valley Hall effect resulting from spin-induced chiral phonons as a possible experimental signature. Our study complements prior work on magnon-phonon hybridized systems without optical phonons and suggests possible applications in spin caloritronics with topological magnons and chiral phonons.

We theoretically study the magnon spin thermal transport using a strong coupling approach in pyrochlore iridate trilayer thin films grown along the [111] direction. As a result of the Dzyaloshinskii-Moriya interaction (DMI), the spin configuration of the ground state is an all-in/all-out ordering on neighboring tetrahedra of the pyrochlore lattice. In such a state, the system has an inversion symmetry and a Nernst-type thermal spin current response is well defined. We calculate the temperature dependence of the magnon Nernst response with respect to the magnon band topology controlled by the spin-orbit coupling parameters and observe topologically protected chiral edge modes over a range of parameters. Our study complements prior work on the magnon thermal Hall effect in thin-film pyrochlore iridates and suggests that the [111] grown thin-film pyrochlore iridates are a promising candidate for thermal spin transport and spin caloritronic devices.

PbTe crystals have a soft transverse optical phonon mode in the terahertz frequency range, which is known to efficiently decay into heat-carrying acoustic phonons, resulting in anomalously low thermal conductivity. Here, we studied this phonon via polarization-dependent terahertz spectroscopy. We observed softening of this mode with decreasing temperature, indicative of incipient ferroelectricity, which we explain through a model including strong anharmonicity with a quartic displacement term. In magnetic fields up to 25T, the phonon mode split into two modes with opposite handedness, exhibiting circular dichroism. Their frequencies displayed Zeeman splitting together with an overall diamagnetic shift with increasing magnetic field. Using a group-theoretical approach, we demonstrate that these observations are results of magnetic field-induced morphic changes in the crystal symmetries through the Lorentz force exerted on the lattice ions. This study thus reveals a novel process of controlling phonon properties in a soft ionic lattice by a strong magnetic field.

Spin-phonon interaction is an important channel for spin and energy relaxation in magnetic insulators. Understanding this interaction is critical for developing magnetic insulator-based spintronic devices. Quantifying this interaction in yttrium iron garnet (YIG), one of the most extensively investigated magnetic insulators, remains challenging because of the large number of atoms in a unit cell. Here, we report temperature-dependent and polarization-resolved Raman measurements in a YIG bulk crystal. We first classify the phonon modes based on their symmetry. We then develop a modified mean-field theory and define a symmetry-adapted parameter to quantify spin-phonon interaction in a phonon-mode specific way for the first time in YIG. Based on this improved mean-field theory, we discover a positive correlation between the spin-phonon interaction strength and the phonon frequency., Comment: 12 pages, 4 figures, 1 table; (Supp. Info. 10 pages, 5 figures, 2 tables)

The hybridization of magnetism and superconductivity has been an intriguing playground for correlated electron systems, hosting various novel physical phenomena. Usually, localized d- or f-electrons are central to magnetism. In this study, by placing a PTCDA (3,4,9,10-perylene tetracarboxylic dianhydride) molecular monolayer on ultra-thin Pb films, we built a hybrid magnetism/superconductivity (M/SC) system consisting of only sp electronic levels. The magnetic moments reside in the unpaired molecular orbital originating from interfacial charge-transfers. We reported distinctive tunneling spectroscopic features of such a Kondo screened pi-electron impurity lattice on a superconductor in the regime of TK>>delta suggesting the formation of a two-dimensional bound states band. Moreover, moir\'e superlattices with tunable twist angle and the quantum confinement in the ultra-thin Pb films provide easy and flexible implementations to tune the interplay between the Kondo physics and the superconductivity, which are rarely present in M/SC hybrid systems., Comment: 4 figures

We review recent work on low-frequency Floquet engineering and its application to quantum materials driven by light, emphasizing van der Waals systems hosting Moir\'e superlattices. These non-equilibrium systems combine the twist-angle sensitivity of the band structures with the flexibility of light drives. The frequency, amplitude, and polarization of light can be easily tuned in experimental setups, leading to platforms with on-demand properties. First, we review recent theoretical developments to derive effective Floquet Hamiltonians in different frequency regimes. We apply some of these theories to study twisted graphene and twisted transition metal dichalcogenide systems irradiated by light in free space and inside a waveguide. We study the changes induced in the quasienergies and steady-states, which can lead to topological transitions. Next, we consider van der Waals magnetic materials driven by low-frequency light pulses in resonance with the phonons. We discuss the phonon dynamics induced by the light and resulting magnetic transitions from a Floquet perspective. We finish by outlining new directions for Moir\'e-Floquet engineering in the low-frequency regime and their relevance for technological applications., Comment: 66 pages, 13 figures

Motivated by the recent experimental realization of twisted transition metal dichalcogenide bilayers, we study a simplified model driven by different forms of monochromatic light. As a concrete and representative example we use parameters that correspond to a twisted MoTe$_2$ homobilayer. First, we consider irradiation with circularly polarized light in free space and demonstrate that the corresponding Floquet Hamiltonian takes the same form as the static Hamiltonian, only with a constant overall shift in quasi-energy. This is in stark contrast to twisted bilayer graphene, where new terms are typically generated under an analagous drive. Longitudinal light, on the other hand, which can be generated from the transverse magnetic mode in a waveguide, has a much more dramatic effect--it renormalizes the tunneling strength between the layers, which effectively permits the tuning of the twist angle {\em in-situ}. We find that, by varying the frequency and amplitude of the drive, one can induce a topological transition that cannot be obtained with the traditional form of the Floquet drive in free space. Furthermore, we find that strong drives can have a profound effect on the layer pseudospin texture of the twisted system, which coincides with multiple simultaneous band gap closings in the infinite-frequency limit. Surprisingly, these bandgap closings are not associated with topological transitions. For high but finite drive frequencies near $0.7$eV, the infinite-frequency band crossings become band gap minima of the order of $10^{-6}$ eV or smaller.

We study theoretically AB-stacked honeycomb bilayers driven by light in resonance with an infrared phonon within a tight-binding description. We characterize the phonon properties of honeycomb bilayers with group theory and construct an electronic time-dependent tight-binding model for the system following photo-excitation in resonance with an infrared phonon. We adopt an "atomically adiabatic" approximation, introduced by Mohantya and Heller PNAS 116, 18316 (2019) to describe classically vibrating nuclei, but obtain the Floquet quasienergy spectrum associated with the time-dependent model exactly. We introduce a general scheme to disentangle the complex low-frequency Floquet spectrum to elucidate the relevant Floquet bands. As a prototypical example, we consider bilayer graphene. We find that light in the low-frequency regime can induce a bandgap in the quasienergy spectrum in the vicinity of the K points even if it is linearly polarized, in contrast with the expectations within the Born-Oppenheimer approximation and the high-frequency regime. Finally, we analyze the diabaticity of the driven electron and driven phonon processes and found contrasting effects on the autocorrelation functions at the same driving frequency: driven phonons preserve the character of the initial state while driven electrons exhibit strong deviations within a few drive cycles. The procedure outlined here can be applied to other materials to describe the combined effects of low-frequency light on phonons and electrons., Comment: 12 pages, 11 figures

Using Indium on Si(111) as an atomically thin superconductor platform, and by systematically controlling the density of nano-hole defects (nanometer size voids), we reveal the impacts of defects density and defects geometric arrangements on superconductivity at macroscopic and microscopic length scales. When nano-hole defects are uniformly dispersed in the atomic layer, the superfluid density monotonically decreases as a function of defect density (from 0.7% to 5% of the surface area) with minor change in the transition temperature Tc, measured both microscopically and macroscopically. With a slight increase in the defect density from 5% to 6%, these point defects are organized into defect chains that enclose individual two-dimensional patches. This new geometric arrangement of defects dramatically impacts the superconductivity, leading to the total disappearance of macroscopic superfluid density and the collapse of the microscopic superconducting gap. This study sheds new light on the understanding of how local defects and their geometric arrangement impact superconductivity in the two-dimensional limit.

We employ group theory to study the properties of the lattice vibrations and magnetic order in the antiferromagnetic topological insulator MnBi$_2$Te$_4$, both in bulk and few-layer form. In the paramagnetic phase, we obtain the degeneracies, the selection rules, and real-space displacements for the lattice vibrational modes for different stacking configurations. We discuss how magnetism influences these results. As a representative example, we consider a double septuple layer system and obtain the form of the magnetic order allowed by the symmetries of the crystal. We derive the allowed coupling terms that describe the paramagnetic to antiferromagnetic transition. Finally, we discuss the implications of our results for Raman scattering and other optical measurements. Our work sets the stage for a deeper understanding of the interplay of lattice modes, band topology, and magnetic order in MnBi$_2$Te$_4$ and other symmetry-related materials., Comment: 11 pages, 8 figures

Operator square-roots are ubiquitous in theoretical physics. They appear, for example, in the Holstein-Primakoff representation of spin operators and in the Klein-Gordon equation. Often the use of a perturbative expansion is the only recourse when dealing with them. In this work we show that under certain conditions differential equations can be derived which can be used to find perturbatively inaccessible approximations to operator square-roots. Specifically, for the number operator $\hat n=\hat a^\dag a$ we show that the square-root $\sqrt{\hat n}$ near $\hat n=0$ can be approximated by a polynomial in $\hat n$. This result is unexpected because a Taylor expansion fails. A polynomial expression in $\hat n$ is possible because $\hat n$ is an operator, and its constituents $a$ and $a^\dag$ have a non-trivial commutator $[a,a^\dag]=1$ and do not behave as scalars. We apply our approach to the zero mass Klein-Gordon Hamiltonian in a constant magnetic field, and as a main application, the Holstein-Primakoff representation of spin operators, where we are able to find new expressions that are polynomial in bosonic operators. We prove that these new expressions exactly reproduce spin operators. Our expressions are manifestly Hermitian, which offer an advantage over other methods, such as the Dyson-Maleev representation.

Motivated by the recent experimental realization of twisted double bilayer graphene (TDBG) samples we study, both analytically and numerically, the effects of circularly polarized light propagating in free space and confined into a waveguide on the band structure and topological properties of these systems. These two complementary Floquet protocols allow us to selectively tune different parameters of the system by varying the intensity and the frequency of the light. For the drive protocol in free space, in the high-frequency regime, we find that in TDBG with AB/BA stacking, we can selectively close the zone-center quasienergy gaps around one valley while increasing the gaps near the opposite valley by tuning the parameters of the drive. In TDBG with AB/AB stacking, a similar effect can be obtained upon the application of a perpendicular static electric field. Furthermore, we study the topological properties of the driven system in different settings, provide accurate effective Floquet Hamiltonians, and show that relatively strong drives can generate flat bands. On the other hand, longitudinal light confined into a waveguide couples to the components of the interlayer hopping that are perpendicular to the TDBG sheet, allowing for selective engineering of the bandwidth of Floquet zone center quasienergy bands without breaking the symmetries of the static system., Comment: 12 pages, 12 figures

We highlight recent advances in the theory, materials fabrication, and experimental characterization of strongly correlated and topological states in [111] oriented transition metal oxide thin films and heterostructures, which are notoriously difficult to realize compared to their [001] oriented counterparts. We focus on two classes of complex oxides, with the chemical formula ABO3 and A2B2O7, where the B sites are occupied by an open-shell transition metal ion with a local moment, and the A sites are typically a rare earth. The [111] oriented quasi-two-dimensional lattices derived from these parent compound lattices can exhibit peculiar geometries and symmetries, namely, a buckled honeycomb lattice, as well as kagome and triangular lattices. These lattice motifs form the basis for emergent strongly correlated and topological states expressed in exotic magnetism, various forms of orbital ordering, topological insulators, topological semimetals, quantum anomalous Hall insulators, and quantum spin liquids. For transition metal ions with high atomic number, spin-orbit coupling plays a significant role and may give rise to additional topological features in the electronic band structure and in the spectrum of magnetic excitations. We conclude the Perspective by articulating open challenges and opportunities in this actively developing field.

In bilayer CrI3, experimental and theoretical studies suggest that the magnetic order is closely related to the layer staking configuration. In this work, we study the effect of dynamical lattice distortions, induced by non-linear phonon coupling, in the magnetic order of the bilayer system. We use density functional theory to determine the phonon properties and group theory to obtain the allowed phonon-phonon interactions. We find that the bilayer structure possesses low-frequency Raman modes that can be non-linearly activated upon the coherent photo-excitation of a suitable infrared phonon mode. This transient lattice modification, in turn, inverts the sign of the interlayer spin interaction for parameters accessible in experiments, indicating a low-frequency light-induced antiferromagnet-to-ferromagnet transition., Comment: 7 pages, 4 figures

We derive effective Floquet Hamiltonians for twisted bilayer graphene driven by circularly polarized light in two different regimes beyond the weak-drive, high frequency regime. First, we consider a driving protocol relevant for experiments with frequencies smaller than the bandwidth and weak amplitudes and derive an effective Hamiltonian, which through a symmetry analysis, provides analytical insight into the rich effects of the drive. We find that circularly polarized light at low frequencies can selectively decrease the strength of AA-type interlayer hopping while leaving the AB-type unaffected. Then, we consider the intermediate frequency, and intermediate-strength drive regime. We provide a compact and accurate effective Hamiltonian which we compare with the Van Vleck expansion and demonstrate that it provides a significantly improved representation of the exact quasienergies. Finally, we discuss the effect of the drive on the symmetries, Fermi velocity and the gap of the Floquet flat bands.

The Verwey transition in magnetite (Fe$_3$O$_4$) is the first metal-insulator transition ever observed and involves a concomitant structural rearrangement and charge-orbital ordering. Due to the complex interplay of these intertwined degrees of freedom, a complete characterization of the low-temperature phase of magnetite and the mechanism driving the transition have long remained elusive. It was demonstrated in recent years that the fundamental building blocks of the charge-ordered structure are three-site small polarons called trimerons. However, electronic collective modes of this trimeron order have not been detected to date, and thus an understanding of the dynamics of the Verwey transition from an electronic point of view is still lacking. Here, we discover spectroscopic signatures of the low-energy electronic excitations of the trimeron network using terahertz light. By driving these modes coherently with an ultrashort laser pulse, we reveal their critical softening and hence demonstrate their direct involvement in the Verwey transition. These findings represent the first observation of soft modes in magnetite and shed new light on the cooperative mechanism at the origin of its exotic ground state., Comment: 20 pages, 18 figures

We introduce a new approach that allows one complete control over the modulation of the effective twist angle change in few-layer van der Waals heterostructures by irradiating them with longitudinal waves of light at the end of a waveguide. As a specific application, we consider twisted bilayer graphene and show that one can tune the magic angles to be either larger or smaller, allowing in-situ experimental control of the phase diagram of this and other related materials. A waveguide allows one to circumvent the free-space constraints on the absence of longitudinal electric field components of light. We propose to place twisted bilayer graphene at a specific location at the exit of a waveguide, such that it is subjected to purely longitudinal components of a transverse magnetic modes (TM) wave.

The longitudinal spin-Seebeck effect (SSE) in magnetic insulator$|$non-magnetic metal heterostructures has been theoretically studied primarily with the assumption of an isotropic interfacial exchange coupling. Here, we present a general theory of the SSE in the case of an antisymmetric Dzyaloshinskii-Moriya interaction (DMI) at the interface, in addition to the usual Heisenberg form. We numerically evaluate the dependence of the spin current on the temperature and bulk DMI using a pyrochlore iridate as a model insulator with all-in all-out (AIAO) ground state configuration. We also compare the results of different crystalline surfaces arising from different crystalline orientations and conclude that the relative angles between the interfacial moments and Dzyaloshinskii-Moriya vectors play a significant role in the spin transfer. Our work extends the theory of the SSE by including the anisotropic nature of the interfacial Dzyaloshinskii-Moriya exchange interaction in magnetic insulator$|$non-magnetic metal heterostructures and can suggest possible materials to optimize the interfacial spin transfer in spintronic devices.

We numerically investigate the momentum-space entanglement entropy and entanglement spectrum of the random-dimer model and its generalizations, which circumvent Anderson localization, after a quench in the Hamiltonian parameters. The type of dynamics that occurs depends on whether or not the Fermi level of the initial state is near the energy of the delocalized states present in these models. If the Fermi level of the initial state is near the energy of the delocalized states, we observe an interesting slow logarithmic-like growth of the momentum-space entanglement entropy followed by an eventual saturation. Otherwise, the momentum-space entanglement entropy is found to rapidly saturate. We also find that the momentum-space entanglement spectrum reveals the presence of delocalized states in these models for long times after the quench and the many-body entanglement gap decays logarithmically in time when the Fermi level is near the energy of the delocalized states., Comment: 4+e pages, 3 figures

We develop a theory to derive effective Floquet Hamiltonians in the weak drive and low-frequency regime. We construct the theory in analogy with band theory for electrons in a spatially-periodic and weak potential, such as occurs in some crystalline materials. As a prototypical example, we apply this theory to graphene driven by circularly polarized light of low intensity. We find an analytic expression for the effective Floquet Hamiltonian in the low-frequency regime which accurately predicts the quasienergy spectrum and the Floquet states. Furthermore, we identify self-consistency as the crucial feature effective Hamiltonians in this regime need to satisfy to achieve a high accuracy. The method is useful in providing a realistic description of off-resonant drives for multi-band solid state systems where light-induced topological band structure changes are sought.

We report results of terahertz Faraday and Kerr rotation spectroscopy measurements on thin films of $\text{Bi}_{1-x}\text{Sb}_{x}$, an alloy system that exhibits a semimetal-to-topological-insulator transition as the Sb composition $x$ increases. By using a single-shot time-domain terahertz spectroscopy setup combined with a table-top pulsed mini-coil magnet, we conducted measurements in magnetic fields up to 30~T, observing distinctly different behaviors between semimetallic ($x < 0.07$) and topological insulator ($x > 0.07$) samples. Faraday and Kerr rotation spectra for the semimetallic films showed a pronounced dip that blue-shifted with the magnetic field, whereas spectra for the topological insulator films were positive and featureless, increasing in amplitude with increasing magnetic field and eventually saturating at high fields ($>$20~T). Ellipticity spectra for the semimetallic films showed resonances, whereas the topological insulator films showed no detectable ellipticity. To explain these observations, we developed a theoretical model based on realistic band parameters and the Kubo formula for calculating the optical conductivity of Landau-quantized charge carriers. Our calculations quantitatively reproduced all experimental features, establishing that the Faraday and Kerr signals in the semimetallic films predominantly arise from bulk hole cyclotron resonances while the signals in the topological insulator films represent combined effects of surface carriers originating from multiple electron and hole pockets. These results demonstrate that the use of high magnetic fields in terahertz magnetopolarimetry, combined with detailed electronic structure and conductivity calculations, allows us to unambiguously identify and quantitatively determine unique contributions from different species of carriers of topological and nontopological nature in Bi$_{1-x}$Sb$_x$., Comment: 17 pages, 22 figures

In this paper we develop an analogue of Hamilton-Jacobi theory for the time-evolution operator of a quantum many-particle system. The theory offers a useful approach to develop approximations to the time-evolution operator, and also provides a unified framework and starting point for many well-known approximations to the time-evolution operator. In the important special case of periodically driven systems at stroboscopic times, we find relatively simple equations for the coupling constants of the Floquet Hamiltonian, where a straightforward truncation of the couplings leads to a powerful class of approximations. Using our theory, we construct a flow chart that illustrates the connection between various common approximations, which also highlights some missing connections and associated approximation schemes. These missing connections turn out to imply an analytically accessible approximation that is the "inverse" of a rotating frame approximation and thus has a range of validity complementary to it. We numerically test the various methods on the one-dimensional Ising model to confirm the ranges of validity that one would expect from the approximations used. The theory provides a map of the relations between the growing number of approximations for the time-evolution operator. We describe these relations in a table showing the limitations and advantages of many common approximations, as well as the new approximations introduced in this paper., Comment: 17 pages, 5 figures, 1 table

The interplay between spin and heat currents at magnetic insulator|nonmagnetic metal interfaces has been a subject of much scrutiny because of both fundamental physics and the promise for technological applications. While ferrimagnetic and, more recently, antiferromagnetic systems have been extensively investigated, a theory generalizing the heat-to-spin interconversion in noncollinear magnets is still lacking. Here, we establish a general framework for thermally-driven spin transport at the interface between a noncollinear magnet and a normal metal. Modeling the interfacial coupling between localized and itinerant magnetic moments via an exchange Hamiltonian, we derive an expression for the spin current, driven by a temperature difference, for an arbitrary noncollinear magnetic order. Our theory reproduces previously obtained results for ferromagnetic and antiferromagnet systems.

In this work we use Floquet theory to theoretically study the influence of monochromatic circularly and linearly polarized light on the Hofstadter butterfly---induced by a uniform perpendicular magnetic field--for both the kagome and triangular lattices. In the absence of the laser light, the butterfly has fractal structure with inversion symmetry about magnetic flux $\phi=1/4$, and reflection symmetry about $\phi=1/2$. As the system is exposed to an external laser, we find circularly polarized light deforms the butterfly by breaking the mirror symmetry at flux $\phi=1/2$. By contrast, linearly polarized light deforms the original butterfly while preserving the mirror symmetry at flux $\phi=1/2$. We find the inversion symmetry is always preserved for both linear and circular polarized light. For linearly polarized light, the Hofstadter butterfly depends on the polarization direction. Further, we study the effect of the laser on the Chern number of lowest band in the off-resonance regime (laser frequency is larger than the bandwidth). For circularly polarized light, we find that low laser intensity will not change the Chern number, but beyond a critical intensity the Chern number will change. For linearly polarized light, the Chern number depends on the polarization direction. Our work highlights the generic features expected for the periodically driven Hofstadter problem on different lattices., Comment: 13 pages, 11 figures

We present a theoretical method to generate a highly accurate {\em time-independent} Hamiltonian governing the finite-time behavior of a time-periodic system. The method exploits infinitesimal unitary transformation steps, from which renormalization group-like flow equations are derived to produce the effective Hamiltonian. Our tractable method has a range of validity reaching into frequency regimes that are usually inaccessible via high frequency $\omega$ expansions in the parameter $h/\omega$, where $h$ is the upper limit for the strength of local interactions. We demonstrate our approach on both interacting and non-interacting many-body Hamiltonians where it offers an improvement over the more well-known Magnus expansion and other high frequency expansions. For the interacting models, we compare our approximate results to those found via exact diagonalization. While the approximation generally performs better globally than other high frequency approximations, the improvement is especially pronounced in the regime of lower frequencies and strong external driving. This regime is of special interest because of its proximity to the resonant regime where the effect of a periodic drive is the most dramatic. Our results open a new route towards identifying novel non-equilibrium regimes and behaviors in driven quantum many-particle systems., Comment: 25 pages, 14 figures

In this work we use Floquet theory to theoretically study the influence of circularly polarized light on disordered two-dimensional models exhibiting topological transitions. We find circularly polarized light can induce a topological transition in extended Kane-Mele models that include additional hopping terms and on-site disorder. The topological transitions are understood from the Floquet-Bloch band structure of the clean system at high symmetry points in the first Brillouin zone. The light modifies the equilibrium band structure of the clean system in such a way that the smallest gap in the Brillouin zone can be shifted from the $M$ points to the $K(K')$ points, the $\Gamma$ point, or even other lower symmetry points. The movement of the minimal gap point through the Brillouin zone as a function of laser parameters is explained in the high frequency regime through the Magnus expansion. In the disordered model, we compute the Bott index to reveal topological phases and transitions. The disorder can induce transitions from topologically non-trivial states to trivial states or vice versa, both examples of Floquet topological Anderson transitions. As a result of the movement of the minimal gap point through the Brillouin zone as a function of laser parameters, the nature of the topological phases and transitions is laser-parameter dependent--a contrasting behavior to the Kane-Mele model., Comment: 10 pages, 7 figures