We define, compute and analyze the nonequilibrium differential optical conductivity of the one-dimensional extended Hubbard model at half-filling after applying a pump pulse, using the time-dependent density matrix renormalization group method. The melting of the Mott insulator is accompanied by a suppression of the local magnetic moment and ensuing photogeneration of doublon-holon pairs. The differential optical conductivity reveals $(i)$ mid-gap states related to parity-forbidden optical states, and $(ii)$ strong renormalization and hybridization of the excitonic resonance and the absorption band, yielding a Fano resonance. We offer evidence and interpret such a resonance as a signature of nonequilibrium optical excitations resembling excitonic strings, (bi)excitons, and unbound doublon-holon pairs, depending on the magnitude of the intersite Coulomb repulsion. We discuss our results in the context of pump and probe spectroscopy experiments on organic Mott insulators.
We study a generalized quantum spin ladder with staggered long range interactions that decay as a power-law with exponent $alpha$. Using the density matrix renormalization group (DMRG) method and exact diagonalization, we show that this model undergoes a transition from a rung-dimer phase characterized by a non-local string order parameter, to a symmetry broken Neel phase at $alpha_csim 2.1$. We find evidence that the transition is second order with a dynamic critical exponent $z=1$ and $ uapprox 1.2$. In the magnetically ordered phase, the spectrum exhibits gapless modes, while excitations in the gapped phase are well described in terms of triplons -- bound states of spinons across the legs. We obtained the momentum resolved spin dynamic structure factor numerically and found that the triplon band is well defined at high energies and adiabatically connected to the magnon dispersion. However, at low energies it emerges as the lower edge of continuum of excitations that shifts to high energies across the transition. We further discuss the possibility of deconfined criticality in this model.
We use Density Matrix Renormalization Group to study a one-dimensional chain with Peierls electron-phonon coupling describing the modulation of the electron hopping due to lattice distortion. We demonstrate the appearance of an exotic phase-separated state, which we call Peierls phase separation, in the limit of very dilute electron densities, for sufficiently large couplings and small phonon frequencies. This is unexpected, given that Peierls coupling mediates effective pair-hopping interactions that disfavor phase clustering. The Peierls phase separation consists of a homogenous, dimerized, electron-rich region surrounded by electron-poor regions, which we show to be energetically more favorable than a dilute liquid of bipolarons. This mechanism qualitatively differs from that of typical phase separation in conventional electron-phonon models that describe the modulation of the electrons potential energy due to lattice distortions. Surprisingly, the electron-rich region always stabilizes a dimerized pattern at fractional densities, hinting at a non-perturbative correlation-driven mechanism behind phase separation.
We study the spectrum and the nature of the excitations of an antiferromagnetic (AFM) Heisenberg chain with staggered long range interactions, both numerically using the time-dependent density matrix renormalization group (tDMRG) method and by means of a multi-spinon approximation that qualitatively explains its main features. The unfrustrated long-range nature of the exchange effectively increases the dimensionality of the system and the chain is able to undergo true symmetry breaking and develop long range order, transitioning from a gapless spin liquid to a gapless ordered AFM phase. We calculated the momentum resolved spin dynamical structure factor and found that for weakly decaying interactions the emergence of Neel order can be associated to the formation of bound states of spinons that become coherent magnons. The quasiparticle band leaks out from the two-spinon continuum that is pushed up to higher energies. Our physical picture is also supported by an analysis of the behavior of the excitations in real-time.
While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section lacks closure. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a time-dependent perturbative analysis of scattering processes. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm allowing to explicitly solving the time-dependent Schrodinger equation without the limitations of perturbation theory, a faithful simulation of all scattering processes taking place in actual experiments. We introduce the formalism and an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and thus, can be applied to very large systems with dozens of orbitals. Away from the ultra short lifetime limit we find signatures of spectral weight at low energies that can be explained in terms of gapless multi-spinon excitations. Our approach can readily be applied to systems out of equilibrium without modification.
Variational representations of quantum states abound and have successfully been used to guess ground-state properties of quantum many-body systems. Some are based on partial physical insight (Jastrow, Gutzwiller projected, and fractional quantum Hall states, for instance), and others operate as a black box that may contain information about the underlying structure of entanglement and correlations (tensor networks, neural networks) and offer the advantage of a large set of variational parameters that can be efficiently optimized. However, using variational approaches to study excited states and, in particular, calculating the excitation spectrum, remains a challenge. We present a variational method to calculate the dynamical properties and spectral functions of quantum many-body systems in the frequency domain, where the Greens function of the problem is encoded in the form of a restricted Boltzmann machine (RBM). We introduce a natural gradient descent approach to solve linear systems of equations and use Monte Carlo to obtain the dynamical correlation function. In addition, we propose a strategy to regularize the results that improves the accuracy dramatically. As an illustration, we study the dynamical spin structure factor of the one dimensional $J_1-J_2$ Heisenberg model. The method is general and can be extended to other variational forms.
We study the spectral function of two-leg Hubbard ladders with the time-dependent density matrix renormalization group method (tDMRG). The high-resolution spectrum displays features of spin-charge separation and a scattering continuum of excitations with coherent bands of bound states `leaking from it. As the inter-leg hopping is increased, the continuum in the bonding channel moves to higher energies and spinon and holon branches merge into a single coherent quasi-particle band. Simultaneously, the spectrum undergoes a crossover from a regime with two minima at incommensurate values of $k_x$ (a Mott insulator), to one with a single minimum at $k_x=pi$ (a band insulator). We identify the presence of a continuum of scattering states consisting of a triplon and a polaron. We analyze the processes leading to quasiparticle formation by studying the time evolution of charge and spin degrees of freedom in real space after the hole is created. At short times, incoherent holons and spinons are emitted but after a characteristic time $tau$ charge and spin form polarons that propagate coherently.
We study the dynamical response of the half-filled one-dimensional(1d) Hubbard model for a range of interaction strengths $U$ and temperatures $T$ by a combination of numerical and analytical techniques. Using time-dependent density matrix renormalization group (tDMRG) computations we find that the single-particle spectral function undergoes a crossover to a spin-incoherent Luttinger liquid regime at temperatures $T sim J=4t^2/U$ for sufficiently large $U > 4t$. At smaller values of $U$ and elevated temperatures the spectral function is found to exhibit two thermally broadened bands of excitations, reminiscent of what is found in the Hubbard-I approximation. The dynamical density-density response function is shown to exhibit a finite temperature resonance at low frequencies inside the Mott gap, with a physical origin similar to the Villain mode in gapped quantum spin chains. We complement our numerical computations by developing an analytic strong-coupling approach to the low-temperature dynamics in the spin-incoherent regime.
We study the photoinduced breakdown of a two-orbital Mott insulator and resulting metallic state. Using time-dependent density matrix renormalization group, we scrutinize the real-time dynamics of the half-filled two-orbital Hubbard model interacting with a resonant radiation field pulse. The breakdown, caused by production of doublon-holon pairs, is enhanced by Hunds exchange, which dynamically activates large orbital fluctuations. The melting of the Mott insulator is accompanied by a high to low spin transition with a concomitant reduction of antiferromagnetic spin fluctuations. Most notably, the overall time response is driven by the photogeneration of excitons with orbital character that are stabilized by Hunds coupling. These unconventional Hund excitons correspond to bound spin-singlet orbital-triplet doublon-holon pairs. We study exciton properties such as bandwidth, binding potential, and size within a semiclassical approach. The photometallic state results from a coexistence of Hund excitons and doublon-holon plasma.
We calculate exact zero-temperature real space properties of a substitutional magnetic impurity coupled to the edge of a zigzag silicene-like nanoribbon. Using a Lanczos transformation [Phys. Rev. B 91, 085101 (2015)] and the density matrix renormalization group method, we obtain a realistic description of stanene and germanene that includes the bulk and the edges as boundary one-dimensional helical metallic states. Our results for substitutional impurities indicate that the development of a Kondo state and the structure of the spin correlations between the impurity and the electron spins in the metallic edge state depend considerably on the location of the impurity. More specifically, our real space resolution allows us to conclude that there is a sharp distinction between the impurity being located at a crest or a trough site at the zigzag edge. We also observe, as expected, that the spin correlations are anisotropic due to an emerging Dzyaloshinskii-Moriya interaction with the conduction electrons, and that the edges scatter from the impurity and snake or circle around it. Our estimates for the Kondo temperature indicate that there is a very weak enhancement due to the presence of spin-orbit coupling.
