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A.S. Alexandrov
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Extending the Froehlich polaron problem to a discrete ionic lattice we study a polaronic state with a small radius of the wave function but a large size of the lattice distortion. We calculate the energy dispersion and the effective mass of the polaron with the 1/lambda perturbation theory and with the exact Monte Carlo method in the nonadiabatic and adiabatic regimes, respectively. The ``small Froehlich polaron is found to be lighter than the small Holstein polaron by one or more orders of magnitude.
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We present numeric results for ground state and angle resolved photoemission spectra (ARPES) for single hole in t-J model coupled to optical phonons. The systematic-error free diagrammatic Monte Carlo is employed where the Feynman graphs for the Matsubara Green function in imaginary time are summed up completely with respect to phonons variables, while magnetic variables are subjected to non-crossing approximation. We obtain that at electron-phonon coupling constants relevant for high Tc cuprates the polaron undergoes self-trapping crossover to strong coupling limit and theoretical ARPES demonstrate features observed in experiment: a broad peak in the bottom of the spectra has momentum dependence which coincides with that of hole in pure t-J model.
We study the effects of lattice type on polaron dynamics using a continuous-time quantum Monte-Carlo approach. Holstein and screened Froehlich polarons are simulated on a number of different Bravais lattices. The effective mass, isotope coefficients, ground state energy and energy spectra, phonon numbers, and density of states are calculated. In addition, the results are compared with weak and strong coupling perturbation theory. For the Holstein polaron, it is found that the crossover between weak and strong coupling results becomes sharper as the coordination number is increased. In higher dimensions, polarons are much less mobile at strong coupling, with more phonons contributing to the polaron. The total energy decreases monotonically with coupling. Spectral properties of the polaron depend on the lattice type considered, with the dimensionality contributing to the shape and the coordination number to the bandwidth. As the range of the electron-phonon interaction is increased, the coordination number becomes less important, with the dimensionality taking the leading role.
Bismuth perovskites ABiO$_3$ (A = Sr, Ba) host a variety of peculiar phenomena including bond-disproportionated insulating phases and high-temperature superconductivity upon hole doping. While the mechanisms underlying these phenomena are still debated, off-diagonal electron-phonon ($e$-ph) coupling originating from the modulation of the orbital overlaps has emerged as a promising candidate. Here, we employ classical Monte Carlo simulations to study a semiclassical three-orbital model with off-diagonal $e$-ph interactions. We demonstrate the existence of a (bi)polaron correlations that persists in the model at high temperatures and for hole doping away from the bond-disproportionated insulating phase. Using a spatiotemporal regression analysis between various local quantities and the lattice degrees of freedom, we also identify the similarity between heating- and doping-induced melting of a bond-disproportionated insulator at a microscopic level. Our results imply that (bi)polaron physics can be a unifying concept that helps us understand the rich bismuth perovskite phase diagram.
We investigate the Cu $L_3$ edge resonant inelastic x-ray scattering (RIXS) spectra of a quasi-1D antiferromagnet Ca$_2$CuO$_3$. In addition to the magnetic excitations, which are well-described by the two-spinon continuum, we observe two dispersive orbital excitations, the $3d_{xy}$ and the $3d_{yz}$ orbitons. We carry out a quantitative comparison of the RIXS spectra, obtained with two distinct incident polarizations, with a theoretical model. We show that any realistic spin-orbital model needs to include a finite, but realistic, Hunds exchange $J_H approx 0.5$ eV. Its main effect is an increase in orbiton velocities, so that their theoretically calculated values match those observed experimentally. Even though Hunds exchange also mediates some interaction between spinon and orbiton, the picture of spin-orbit separation remains intact and describes orbiton motion in this compound.
Heterointerfaces in complex oxide systems open new arenas in which to test models of strongly correlated material, explore the role of dimensionality in metal-insulator-transitions (MITs) and small polaron formation. Close to the quantum critical point Mott MITs depend on band filling controlled by random disordered substitutional doping. Delta-doped Mott insulators are potentially free of random disorder and introduce a new arena in which to explore the effect of electron correlations and dimensionality. Epitaxial films of the prototypical Mott insulator GdTiO3 are delta-doped by substituting a single (GdO)+1 plane with a monolayer of charge neutral SrO to produce a two-dimensional system with high planar doping density. Unlike metallic SrTiO3 quantum wells in GdTiO3 the single SrO delta-doped layer exhibits thermally activated DC and optical conductivity that agree in a quantitative manner with predictions of small polaron transport but with an extremely high two-dimensional density of polarons, ~ 7E14 cm-2
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