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arXiv:2109.03618 · Physical review. B./Physical review. B

Excitonic wave-packet evolution in a two-orbital Hubbard model chain: A real-time real-space study

Bradraj Pandey, Gonzalo Álvarez, Elbio R. Dagotto

Published Dec 17, 2021• 4 citations
arXivHTMLPDF

Abstract

Motivated by experimental developments introducing the concept of spin-orbit separation, we study the real-space real-time evolution of an excitonic wave packet using a two-orbital Hubbard model in a chain. The exciton is created by exciting an electron from a lower-energy half-filled orbital to a higher-energy empty orbital. We carry out the real-time dynamics of the resulting excitonic wave packet using the time-dependent density matrix renormalization group. We find clear evidence of charge-spin and spin-orbit separation in real space, by tracking the time evolution of local observables. We show that the velocity of the orbiton can be tuned varying the interorbital interactions. We also present a comparative study of the dynamics of a hole in one-orbital and two-orbital Hubbard models. Moreover, we analyze the dynamics of an exciton with spin-flip excitation, where we observe fractionalized spinons induced by Hund's interaction.

DOI
10.1103/physrevb.104.l220302

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Motivated by experimental developments introducing the concept of spin-orbit separation, we study the real-space real-time evolution of an excitonic wave packet using a two-orbital Hubbard model in a chain. The exciton is created by exciting an electron from a lower-energy half-filled orbital to a higher-energy empty orbital. We carry out the real-time dynamics of the resulting excitonic wave packet using the time-dependent density matrix renormalization group. We find clear evidence of charge-spin and spin-orbit separation in real space, by tracking the time evolution of local observables. We show that the velocity of the orbiton can be tuned varying the interorbital interactions. We also present a comparative study of the dynamics of a hole in one-orbital and two-orbital Hubbard models. Moreover, we analyze the dynamics of an exciton with spin-flip excitation, where we observe fractionalized spinons induced by Hund's interaction.
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We study the real-time evolution of a charge-excited state in a one-dimensional ege_{\rm g}eg​-orbital degenerate Hubbard model, by a time-dependent density-matrix renormalization group method. Considering a chain along the zzz direction, electrons hop between adjacent 3z2−r23z^2-r^23z2−r2 orbitals, while x2−y2x^2-y^2x2−y2 orbitals are localized. For the charge-excited state, a holon-doublon pair is introduced into the ground state at quarter filling. At initial time, there is no electron in a holon site, while a pair of electrons occupies 3z2−r23z^2-r^23z2−r2 orbital in a doublon site. As the time evolves, the holon motion is governed by the nearest-neighbor hopping, but the electron pair can transfer between 3z2−r23z^2-r^23z2−r2 orbital and x2−y2x^2-y^2x2−y2 orbital through the pair hopping in addition to the nearest-neighbor hopping. Thus holon and doublon propagate at different speed due to the pair hopping that is characteristic of multi-orbital systems.
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.
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Uniform spin-orbit coupling in an open single-band Hubbard chain is an exactly removable SU(2)SU(2)SU(2) gauge field at the Hamiltonian level, but not at the level of laboratory-frame spin correlations. We study this separation using density matrix renormalization group calculations for the repulsive one-dimensional Rashba-Hubbard chain. For open boundary conditions, a site-dependent spin rotation maps the model with hopping ttt and Rashba spin-orbit strength λλλ onto the ordinary Hubbard chain with renormalized hopping tλ=t2+λ2t_λ=\sqrt{t^2+λ^2}tλ​=t2+λ2​. Consequently, charge and energy diagnostics are affected only through the bandwidth renormalization, which is quadratic in weak λ/tλ/tλ/t. Spin correlations, however, respond already at linear order because the same transformation rotates the local spin basis by the wave vector kso=2arctan⁡(λ/t)k_{\rm so}=2\arctan(λ/t)kso​=2arctan(λ/t). We use DMRG to verify this observable consequence across the filling diagram of finite open chains. The filling structure follows the gauge-equivalent Hubbard model, whereas the spin structure factor shows the predicted spin-orbit sidebands. A dominant Hubbard-chain magnetic wave vector k0k_0k0​ is transformed into components at k0±ksok_0\pm k_{\rm so}k0​±kso​, folded into the open-chain Brillouin zone. At half filling, where k0=πk_0=πk0​=π, the two sidebands fold onto a single, in-plane, spin spiral wave with k=π−kso<πk=π-k_{\rm so}<πk=π−kso​<π. Away from half filling, the incommensurate Hubbard spin response splits into two distinct spin-orbit-shifted components, producing a real-space beating pattern. Our results provide a filling-resolved tensor-network benchmark for the exactly removable limit of one-dimensional spin-orbit coupling, and establish a controlled reference point for ladders, multiorbital chains, rings, proximitized wires, and higher-dimensional Hubbard systems where spin-orbit coupling can no longer be gauged away.