Mobile Bipolarons in the Adiabatic Holstein-Hubbard Model in 1 and 2 dimensions

The bound states of two electrons in the adiabatic Holstein-Hubbard model are studied numerically in one and two dimensions from the anticontinuous limit. This model involves a competition between a local electron-phonon coupling (with a classical lattice) which tends to form pairs of electrons and the repulsive Hubbard interaction $U \geq 0$ which tends to break them. In 1D, the ground-state always consists in a pair of localized polarons in a singlet state. They are located at the same site for U=0. Increasing U, there is a first order transition at which the bipolaron becomes a spin singlet pair of two polarons bounded by a magnetic interaction. The pinning mode of the bipolaron soften in the vicinity of this transition leading to a higher mobility of the bipolaron which is tested numerically. In 2D, and for any $U$, the electron-phonon coupling needs to be large enough in order to form small polarons or bipolarons instead of extended electrons. We calculate the phase diagram of the bipolaron involving first order transitions lines with a triple point. A pair of polarons can form three types of bipolarons: a) on a single site at small $U$, b) a spin singlet state on two nearest neighbor sites for larger $U$ as in 1D and c) a new intermediate state obtained as the resonant combination of four 2-sites singlet states sharing a central site, called quadrisinglet. The breathing and pinning internal modes of bipolarons in 2D generally only weakly soften and thus, they are practically not mobile. On the opposite, in the vicinity of the triple point involving the quadrisinglet, both modes exhibit a significant softening. However, it was not sufficient for allowing the existence of a classical mobile bipolaron (at least in that model)

Aubry transition studied by direct evaluation of the modulation functions of infinite incommensurate systems

Incommensurate structures can be described by the Frenkel Kontorova model. Aubry has shown that, at a critical value K_c of the coupling of the harmonic chain to an incommensurate periodic potential, the system displays the analyticity breaking transition between a sliding and pinned state. The ground state equations coincide with the standard map in non-linear dynamics, with smooth or chaotic orbits below and above K_c respectively. For the standard map, Greene and MacKay have calculated the value K_c=.971635. Conversely, evaluations based on the analyticity breaking of the modulation function have been performed for high commensurate approximants. Here we show how the modulation function of the infinite system can be calculated without using approximants but by Taylor expansions of increasing order. This approach leads to a value K_c'=.97978, implying the existence of a golden invariant circle up to K_c' > K_c.Comment: 7 pages, 5 figures, file 'epl.cls' necessary for compilation provided; Revised version, accepted for publication in Europhysics Letter

Many-polaron states in the Holstein-Hubbard model

A variational approach is proposed to determine some properties of the adiabatic Holstein-Hubbard model which describes the interactions between a static atomic lattice and an assembly of fermionic charge carriers. The sum of the electronic energy and the lattice elastic energy is proved to have minima with a polaron structure in a certain domain of the phase diagram. Our analytical work consists in the expansion of these energy minima from the zero electronic transfer limit which remarkably holds for a finite amplitude of the onsite Hubbard repulsion and for an unbounded lattice size.Comment: submitted to Journal of Statistical Physic

A Nonlinear Dynamical Model for Ultrafast Catalytic Transfer of Electrons at Zero Temperature

The complex amplitudes of the electronic wavefunctions on different sites are used as Kramers variables for describing Electron Transfer. The strong coupling of the electronic charge to the many nuclei, ions, dipoles, etc, of the environment, is modeled as a thermal bath better considered classically. After elimination of the bath variables, the electron dynamics is described by a discrete nonlinear Schrodinger equation with norm preserving dissipative terms and Langevin random noises (at finite temperature). The standard Marcus results are recovered far from the inversion point, where atomic thermal fluctuations adiabatically induce the electron transfer. Close to the inversion point, in the non-adiabatic regime, electron transfer may become ultrafast (and selective) at low temperature essentially because of the nonlinearities, when these are appropriately tuned. We demonstrate and illustrate numerically that a weak coupling of the donor site with an extra appropriately tuned (catalytic) site, can trigger an ultrafast electron transfer to the acceptor site at zero degree Kelvin, while in the absence of this catalytic site no transfer would occur at all (the new concept of Targeted Transfer initially developed for discrete breathers is applied to polarons in our theory). Among other applications, this theory should be relevant for describing the ultrafast electron transfer observed in the photosynthetic reaction centers of living cells.Comment: submitted to the Proceedings of "Dynamics Days Asia-Pacific: Second International Conference on Nonlinear Science", HangZhou, China, August 8-12, 200

Conductivity of a quasiperiodic system in two and three dimensions

A generalization of the Aubry-Andre model in two and three dimensions is introduced which allows for quasiperiodic hopping terms in addition to the quasiperiodic site potentials. This corresponds to an array of interstitial impurities within the periodic host crystal. The resulting model is exactly solvable and I compute the density of states and the ac-conductivity. There is no mobility edge as in completely disordered systems but the regular ac-conductivity and the strongly reduced Drude weight indicate a precursor of the Anderson transition as the Fermi energy goes from the center to the band edges.Comment: 4 pages,6 figures, references adde

Multiple scattering of ultrasound in weakly inhomogeneous media: application to human soft tissues

Waves scattered by a weakly inhomogeneous random medium contain a predominant single scattering contribution as well as a multiple scattering contribution which is usually neglected, especially for imaging purposes. A method based on random matrix theory is proposed to separate the single and multiple scattering contributions. The experimental set up uses an array of sources/receivers placed in front of the medium. The impulse responses between every couple of transducers are measured and form a matrix. Single-scattering contributions are shown to exhibit a deterministic coherence along the antidiagonals of the array response matrix, whatever the distribution of inhomogeneities. This property is taken advantage of to discriminate single from multiple-scattered waves. This allows one to evaluate the absorption losses and the scattering losses separately, by comparing the multiple scattering intensity with a radiative transfer model. Moreover, the relative contribution of multiple scattering in the backscattered wave can be estimated, which serves as a validity test for the Born approximation. Experimental results are presented with ultrasonic waves in the MHz range, on a synthetic sample (agar-gelatine gel) as well as on breast tissues. Interestingly, the multiple scattering contribution is found to be far from negligible in the breast around 4.3 MHz.Comment: 35 pages, 11 figures, final version, contains the appendix of the original articl

Von Neumann entropy and localization-delocalization transition of electron states in quantum small-world networks

The von Neumann entropy for an electron in periodic, disorder and quasiperiodic quantum small-world networks(QSWNs) are studied numerically. For the disorder QSWNs, the derivative of the spectrum averaged von Neumann entropy is maximal at a certain density of shortcut links p*, which can be as a signature of the localization delocalization transition of electron states. The transition point p* is agreement with that obtained by the level statistics method. For the quasiperiodic QSWNs, it is found that there are two regions of the potential parameter. The behaviors of electron states in different regions are similar to that of periodic and disorder QSWNs, respectively.Comment: 6 pages, 13figure

Anderson localization of pairs in bichromatic optical lattices

We investigate the formation of bound states made of two interacting atoms moving in a one dimensional (1D) quasi-periodic optical lattice. We derive the quantum phase diagram for Anderson localization of both attractively and repulsively bound pairs. We calculate the pair binding energy and show analytically that its behavior as a function of the interaction strength depends crucially on the nature -extended, multi-fractal, localized- of the single-particle atomic states. Experimental implications of our results are discussed.Comment: final revised version with more explanations, 4 pages, 3 figure