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arXiv:2406.01110 · Physical review. B./Physical review. B

Photoinduced phase switching from Mott insulator to metallic state in the quarter-filled Peierls-Hubbard model

Can Shao, Takami Tohyama, Hantao Lu

Published Dec 10, 2024• 1 citation
arXivHTMLPDF

Abstract

Utilizing the exact diagonalization method, we investigate the one-dimensional Peierls-Hubbard model at quarter filling, where it manifests as an antiferromagnetic Mott insulator in units of dimers. By increasing the on-site Coulomb repulsion $U$, we observe a significant suppression of the Drude peak, based on a nonequilibrium linear-response theory capable of capturing the zero-frequency (Drude) weight of the optical conductivity under periodic boundary conditions. However, after the ultrafast photoirradiation of this model with large $U$, we detect a distinct enhancement of the Drude peak, signifying the onset of a photoinduced insulator-metal transition. Comparing these dynamics with the half-filled Hubbard model and a noninteracting spinless half-filled Su-Schrieffer-Heeger model (corresponding to the quarter-filled Peierls-Hubbard model with infinite $U$), we propose a mechanism for the photoinduced metallic state: The empty-occupied and double-occupied dimers serve as the photoinduced charge carriers, akin to the holons and doublons in the Hubbard model.

DOI
10.1103/physrevb.110.245121

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Utilizing the exact diagonalization method, we investigate the one-dimensional Peierls-Hubbard model at quarter filling, where it manifests as an antiferromagnetic Mott insulator in units of dimers. By increasing the on-site Coulomb repulsion UUU, we observe a significant suppression of the Drude peak, based on a nonequilibrium linear-response theory capable of capturing the zero-frequency (Drude) weight of the optical conductivity under periodic boundary conditions. However, after the ultrafast photoirradiation of this model with large UUU, we detect a distinct enhancement of the Drude peak, signifying the onset of a photoinduced insulator-metal transition. Comparing these dynamics with the half-filled Hubbard model and a noninteracting spinless half-filled Su-Schrieffer-Heeger model (corresponding to the quarter-filled Peierls-Hubbard model with infinite UUU), we propose a mechanism for the photoinduced metallic state: The empty-occupied and double-occupied dimers serve as the photoinduced charge carriers, akin to the holons and doublons in the Hubbard model.
Abstract Utilizing the time-dependent Lanczos method, we investigate the photoexcitation dynamics of the one-dimensional (1D) extended Peierls–Hubbard model at quarter filling. In equilibrium, it is well established that introducing the nearest-neighbour interaction V into the 1D Peierls–Hubbard model can lead to the formation of Mott–Hubbard excitons, which exhibit a characteristic frequency in the optical conductivity that is lower than the Mott gap. Ultrafast photoexcitation of this model gives rise to a transient metallic state for V < 2, characterized by several features, including a zero-frequency Drude peak in the post-pump optical conductivity, an increase in the density of charge carriers, and enhanced electron hopping between dimers. In contrast, when V ≥ 2, this metallic state is no longer observed, as photoinduced carriers bind to form excitons, thereby inhibiting metallic behavior. These results highlight a parallel between the optical excitation of the 1D extended Peierls–Hubbard model at quarter filling and that of the 1D extended Hubbard model at half filling, suggesting a universal mechanism governing their photoinduced responses.
We study photoinduced optical responses of one-dimensional strongly correlated electron systems. The optical conductivity spectra are calculated for the ground state and a photoexcited state in the one-dimensional Hubbard model at half filling by using the exact diagonalization method. It is found that, in the Mott insulator phase, the photoexcited state has large spectral weights including the Drude weight below the optical gap. As a consequence, the spectral weight above the optical gap is largely reduced. These results imply that a metallic state is induced by photoexcitation. Comparison between the photoexcited and hole-doped states shows that the photoexcitation is similar to chemical doping.
Based on the nonperturbative many-body time-dependent approach, photoinduced Hubbard band mixing by ultrashort laser pulse is found in a one-dimensional half-filled Hubbard model through the optical conductivity. The nonlinear development of Drude-like (metallic) weight in the resonant optical pumping (${\ensuremath{\omega}}_{\mathrm{pu}}\ensuremath{\approx}{E}_{g}$; ${\ensuremath{\omega}}_{\mathrm{pu}}$ is the pumping laser energy and Eg{E}_{g}Eg​ is the gap energy) indicates reconstruction and mixing of the upper and lower Hubbard bands, in contrast to the case of linear development in off-resonant pumping $({\ensuremath{\omega}}_{\mathrm{pu}}⪢{E}_{g})$ where the rigid band picture is valid. The photoemission response after the ultrashort pulse confirms our finding.
Photoinduced carrier dynamics in a correlated electron system on a coupled two-leg ladder lattice are studied. The two-leg ladder Hubbard model is analyzed utilizing the exact diagonalization method based on the Lanczos algorithm in finite-size clusters. In order to reveal the transient carrier dynamics after photoirradiation, we calculate the low-energy components of the hole kinetic energy, the pair-field correlation function, the optical conductivity spectra, and other characteristics. It is shown that the photoinduced metallic-like state appears in a half-filled Mott insulating state, while the low-energy carrier motion is suppressed by photoirradiation in the case of hole-doped metallic states. These photoinduced changes in the electron dynamics are associated with changes in the carrier-pair coherence; they are not attributed to a naive thermalization, and are associated with a ladder-lattice effect instead. Based on the numerical results, optical control of hole pairs using double-pulse pumping is demonstrated. Implications for recent optical pump-probe experiments are presented.
Photoinduced charge dynamics in dimerized systems is studied on the basis of the exact diagonalization method and the time-dependent Schrödinger equation for a one-dimensional spinless-fermion model at half filling and a two-dimensional model for κκκ-(bis[ethylenedithio]tetrathiafulvalene)2_22​X [κκκ-(BEDT-TTF)2_22​X] at three-quarter filling. After the application of a one-cycle pulse of a specifically polarized electric field, the charge densities at half of the sites of the system oscillate in the same phase and those at the other half oscillate in the opposite phase. For weak fields, the Fourier transform of the time profile of the charge density at any site after photoexcitation has peaks for finite-sized systems that correspond to those of the steady-state optical conductivity spectrum. For strong fields, these peaks are suppressed and a new peak appears on the high-energy side, that is, the charge densities mainly oscillate with a single frequency, although the oscillation is eventually damped. In the two-dimensional case without intersite repulsion and in the one-dimensional case, this frequency corresponds to charge-transfer processes by which all the bonds connecting the two classes of sites are exploited. Thus, this oscillation behaves as an electronic breathing mode. The relevance of the new peak to a recently found reflectivity peak in κκκ-(BEDT-TTF)2_22​X after photoexcitation is discussed.
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 Hund's 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 Hund's 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.