Polaron formation for nonlocal electron-phonon coupling: A variational wave-function study

Perroni, C. A.; Piegari, E.; Capone, Massimo; Cataudella, V.

doi:10.1103/physrevb.69.174301

Cited by 31 publications

(24 citation statements)

References 42 publications

(50 reference statements)

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“…Recently, a variational wave function 22 has been proposed to study the polaron formation in Su-Schrieffer-Heeger (SSH) model where the electronic transfer integral depends on the relative displacement between nn sites. Unlike the original SSH model, the non-local electron-lattice coupling has been assumed to be due to the interaction with optical phonon modes.…”

Section: Discussionmentioning

confidence: 99%

Effects of electron-phonon coupling range on the polaron formation

Perroni

Cataudella²,

Filippis³

et al. 2005

Phys. Rev. B

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The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of phonons, and the electron-lattice correlation function are discussed for the system with coupling to local and nearest neighbor lattice displacements comparing the results with the long range case. For large values of the coupling with nearest neighbor sites, most physical quantities show a strong resemblance with those obtained for the long range electron-phonon interaction. Moreover, for intermediate values of interaction strength, the correlation function between electron and nearest neighbor lattice displacements is characterized by an upturn as function of the electron-phonon coupling constant.Comment: 5 pages and 4 figure

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Section: Discussionmentioning

confidence: 99%

Effects of electron-phonon coupling range on the polaron formation

Perroni

Cataudella²,

Filippis³

et al. 2005

Phys. Rev. B

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“…where amplitudes u i (t) and p i (t) are expectation values of appropriate operators in the state |φ (t) . Within these approximations, we calculate the expectation value of the many-body Hamiltonian on the system state and approximate the resulting equation of motion by the classical Hamilton equations, 51 we obtain set of coupled differential equations of the form: This approach is commonly used in quantum molecular dynamics, [53][54][55][56][57][58][59] in which equations of motion for the variational parameters are obtained from the minimization of δ φ |Ĥ − i∂ t |φ , where δ φ denotes possible variations of φ with respect to the variational parameters.…”

Section: The Davydov Approachmentioning

confidence: 99%

Simulating polaron biophysics with Rydberg atoms

Płodzień

Sowiński

Kokkelmans

2018

Sci Rep

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Transport of excitations along proteins can be formulated in a quantum physics context, based on the periodicity and vibrational modes of the structures. Numerically exact solutions of the corresponding equations are very challenging to obtain on classical computers. Approximate solutions based on the Davydov ansatz have demonstrated the possibility of stabilized solitonic excitations along the protein, however, experimentally these solutions have never been directly observed. Here we propose an alternative study of biophysical transport phenomena based on a quantum simulator composed of a chain of ultracold dressed Rydberg atoms, which allows for a direct observation of the Davydov phenomena. We show that there is an experimentally accessible range of parameters where the system directly mimics the Davydov equations and their solutions. Moreover, we show that such a quantum simulator has access to the regime in between the small and large polaron regimes, which cannot be described perturbatively.

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“…In particular for α = 0.15 P becomes equal to few lattice sites. At this value of the coupling constant the nature of the ground state has changed: the electron form a bond polaron [23][24][25][26][27][28] that is characterized by a very large effective mass.…”

Section: Temperature Dependence Of Mobilitymentioning

confidence: 99%

Transport properties and optical conductivity of the adiabatic Su-Schrieffer-Heeger model: A showcase study for rubrene-based field effect transistors

2011

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Transport properties, spectral function and optical conductivity of the adiabatic one-dimensional Su-Schrieffer-Heeger (SSH) model are studied with particular emphasis on the model parameters suitable for Rubrene single crystals based field effect transistors. We show that the mobility, calculated by using the Kubo formula for conductivity, vanishes unless we introduce an "ad hoc" broadening of the system energy levels. Furthermore, the apparent contradiction between angle resolved photoemission data and transport properties is clarified by studying the behavior of the spectral function. Finally, a peak in the optical conductivity at very low energy is obtained and discussed in connection with the available experimental data for Rubrene based devices.

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Polaron formation for nonlocal electron-phonon coupling: A variational wave-function study

Cited by 31 publications

References 42 publications

Effects of electron-phonon coupling range on the polaron formation

Effects of electron-phonon coupling range on the polaron formation

Simulating polaron biophysics with Rydberg atoms

Transport properties and optical conductivity of the adiabatic Su-Schrieffer-Heeger model: A showcase study for rubrene-based field effect transistors

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