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Acta Physica Sinica

Two-site Hubbard-holstein model polaron of quantum entanglement properties

Xuezao Ren, Shu He, Cong Hong-Lu, Wang Xu-Wen

Published Jan 1, 2012• 2 citations
Publisher

Abstract

We obtain the exact solution of energy spectrum and dynamics for the two-site Hubbard-Holstein model by the coherent states orthogonal expansion method. The influences of coupling strength g, the average number of phonons n and the initial electronic state on the evolution of system entanglement and von Neumann entropy are discussed. Numerical results are as follows. (a) Entanglement evolution with time shows a good periodicity. When the other parameters are fixed, the evolution period decreases as the coupling strength g goes up but it is independent of the average number of phonons n. (b) The von Neumann entropy of the system demonstrates strict synchronia with the electronic state occupancy probability. (c) Under the weak coupling strength and low average number of phonons, the initial electronic state c2+ c2+|Oe or c1+ c1+|Oe shows larger maximum von Neumann entropy during its evolution than that of c1+c2+c1+c2++ but they gradually approach to each other with the increase of coupling strength or average number of phonons.

DOI
10.7498/aps.61.124207

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We obtain the exact solution of energy spectrum and dynamics for the two-site Hubbard-Holstein model by the coherent states orthogonal expansion method. The influences of coupling strength g, the average number of phonons n and the initial electronic state on the evolution of system entanglement and von Neumann entropy are discussed. Numerical results are as follows. (a) Entanglement evolution with time shows a good periodicity. When the other parameters are fixed, the evolution period decreases as the coupling strength g goes up but it is independent of the average number of phonons n. (b) The von Neumann entropy of the system demonstrates strict synchronia with the electronic state occupancy probability. (c) Under the weak coupling strength and low average number of phonons, the initial electronic state c2+ c2+|Oe or c1+ c1+|Oe shows larger maximum von Neumann entropy during its evolution than that of c1+c2+c1+c2++ but they gradually approach to each other with the increase of coupling strength or average number of phonons.
We study the two-site Hubbard-Holstein model by using an extended phonon coherent state. For the nontrivial singlet bipolarons, the double occupancy probability, the fidelity and the entanglement entropy are calculated to characterize the ground-state properties in both two-site and single-site bipolaron-dominated regimes. We use the localized minimum of the fidelity to define a crossover and plot the bipolaron phase diagram, which separates the large and small entanglement region. Furthermore, the relation between the bipolaron entanglement and the correlation functions demonstrates that the large entanglement corresponds to the large magnitude of lattice deformations induced by electrons.
The polaron problem presents a highly nonlinear dynamical system in which the charge and lattice deformations are intricately coupled together. The coherent state expansion method was applied to the two-site Holstein model. Analytical solutions are found for the first, the second and the third order approximations. Comparison is made among the exact numerical results, based upon solving a recursive relation for the expansion coefficients, and the analytical solutions up to the third order approximation for various e-ph coupling strengths and electron hopping parameters.
The two-site Holstein model is studied by the analytical method of the coherent-state expansion. We obtain the recursive relationship among the expansion coefficients, which leads to the exact solutions of the eigenstate properties. The exact ground-state results in the whole coupling strength region and from antiadiabatic to adiabatic limits are in perfect agreement with that available by the exact numerical diagonalization technique. Comparison with the best perturbation results shows the success and shortcoming of the perturbative method. The coherent-state expansion method is a promising approach in studying electron-phonon $(e\ensuremath{-}\mathrm{ph})$ coupling systems.
We describe quantum entanglement inherent to the polaron ground states of coupled electron-phonon (or, more generally, particle-phonon) systems based on a model comprising both local (Holstein-type) and nonlocal (Peierls-type) couplings. We study this model using a variational method supplemented by the exact numerical diagonalization on a system of finite size. By way of subsequent numerical diagonalization of the reduced density matrix, we determine the particle-phonon entanglement as given by the von Neumann and linear entropies. Our results are strongly indicative of the intimate relationship between the particle localization/delocalization and the particle-phonon entanglement. In particular, we find a compelling evidence for the existence of a nonanalyticity in the entanglement entropies with respect to the Peierls-coupling strength. The occurrence of such nonanalyticity---not accompanied by an actual quantum phase transition---reinforces analogous conclusion drawn in several recent studies of entanglement in the realm of quantum-dissipative systems. In addition, we demonstrate that the entanglement entropies saturate inside the self-trapped region where the small-polaron states are nearly maximally mixed.
We study the quantum dynamics of small polaron formation and polaron transport through finite quantum structures in the framework of the one-dimensional Holstein model with site-dependent potentials and interactions. Combining Lanczos diagonalization with Chebyshev moment expansion of the time evolution operator, we determine how different initial states, representing stationary ground states or injected wave packets, after an electron-phonon interaction quench, develop in real space and time. Thereby, the full quantum nature and dynamics of electrons and phonons is preserved. We find that the decay out of the initial state sensitively depends on the energy and momentum of the incoming particle, the electron-phonon coupling strength, and the phonon frequency, whereupon bound polaron-phonon excited states may emerge in the strong-coupling regime. The tunneling of a Holstein polaron through a quantum wall or dot is generally accompanied by strong phonon number fluctuations due to phonon emission and reabsorption processes.
The Holstein Hubbard and Holstein t-J models are studied for a wide range of phonon frequencies, electron-electron, and electron-phonon interaction strengths on finite lattices with up to ten sites by means of direct Lanczos diagonalization. Previously the necessary truncation of the phononic Hilbert space caused serious limitations to either very small systems (four or even two sites) or to weak electron-phonon coupling, in particular in the adiabatic regime. Using parallel computers we were able to investigate the transition from ``large'' to ``small'' polarons in detail. By resolving the low-lying eigenstates of the Hamiltonian and by calculating the spectral function, we can identify a polaron band in the strong-coupling case, whose dispersion deviates from the free-particle dispersion at low and intermediate phonon frequencies. For two electrons (holes) we establish the existence of bipolaronic states and discuss the formation of a bipolaron band. For the two-dimensional Holstein t-J model, we demonstrate that the formation of hole polarons is favored by strong Coulomb correlations. Analyzing hole-hole correlation functions, we find that hole binding is enhanced as a dynamical effect of the electron-phonon interaction. \textcopyright{} 1996 The American Physical Society.