Dynamic response studies on aggregation and breakage dynamics of colloidal dispersions in stirred tanks

Aggregation and breakage of aggregates of fully destabilized polystyrene latex particles in turbulent flow was studied experimentally in both batch and continuous stirred tanks using small-angle static light scattering. It was found that the steady-state values of the root-mean-square radius of gyration are fully reversible upon changes of stirring speed as well as solid volume fraction. Steady-state values of the root-mean-square radius of gyration were decreasing with decreasing solid volume fraction as well as with increasing stirring speed. Moreover, it was found that the steady-state structure and shape of the aggregates is not influenced by the applied stirring speed

Accounting for both electron--lattice and electron--electron coupling in conjugated polymers: minimum total energy calculations on the Hubbard--Peierls hamiltonian

Minimum total energy calculations, which account for both electron--lattice and electron--electron interactions in conjugated polymers are performed for chains with up to eight carbon atoms. These calculations are motivated in part by recent experimental results on the spectroscopy of polyenes and conjugated polymers and shed light on the longstanding question of the relative importance of electron--lattice vs. electron--electron interactions in determining the properties of these systems.Comment: 6 pages, Plain TeX, FRL-PSD-93GR

Electron-electron interaction effects on the photophysics of metallic single-walled carbon nanotubes

Single-walled carbon nanotubes are strongly correlated systems with large Coulomb repulsion between two electrons occupying the same $p_z$ orbital. Within a molecular Hamiltonian appropriate for correlated $\pi$-electron systems, we show that optical excitations polarized parallel to the nanotube axes in the so-called metallic single-walled carbon nanotubes are to excitons. Our calculated absolute exciton energies in twelve different metallic single-walled carbon nanotubes, with diameters in the range 0.8 - 1.4 nm, are in nearly quantitative agreement with experimental results. We have also calculated the absorption spectrum for the (21,21) single-walled carbon nanotube in the E$_{22}$ region. Our calculated spectrum gives an excellent fit to the experimental absorption spectrum. In all cases our calculated exciton binding energies are only slightly smaller than those of semiconducting nanotubes with comparable diameters, in contradiction to results obtained within the {\it ab initio} approach, which predicts much smaller binding energies. We ascribe this difference to the difficulty of determining the behavior of systems with strong on-site Coulomb interactions within theories based on the density functional approach. As in the semiconducting nanotubes we predict in the metallic nanotubes a two-photon exciton above the lowest longitudinally polarized exciton that can be detected by ultrafast pump-probe spectroscopy. We also predict a subgap absorption polarized perpendicular to the nanotube axes below the lowest longitudinal exciton, blueshifted from the exact midgap by electron-electron interactions

Giant infrared intensity of the Peierls mode at the neutral-ionic phase transition

We present exact diagonalization results on a modified Peierls-Hubbard model for the neutral-ionic phase transition. The ground state potential energy surface and the infrared intensity of the Peierls mode point to a strong, non-linear electron-phonon coupling, with effects that are dominated by the proximity to the electronic instability rather than by electronic correlations. The huge infrared intensity of the Peierls mode at the ferroelectric transition is related to the temperature dependence of the dielectric constant of mixed-stack organic crystals.Comment: 4 pages, 4 figure

Spin-Peierls Dimerization of a s=1/2 Heisenberg Antiferromagnet on a Square Lattice

Dimerization of a spin-half Heisenberg antiferromagnet on a square lattice is investigated for several possible dimerized configurations, some of which are shown to have lower ground state energies than the others. In particular, the lattice deformations resulting in alternate stronger and weaker couplings along both the principal axes of a square lattice are shown to result in a larger gain in magnetic energy. In addition, a `columnar' configuration is shown to have a lower ground state energy and a faster increase in the energy gap parameter than a `staggered' configuration. The inclusion of unexpanded exchange coupling leads to a power law behaviour for the magnetic energy gain and energy gap, which is qualitatively different from that reported earlier. Instead of increasing as $\delta ^{x}$, the two quantities depend on $\delta$ as $\delta ^{\nu}/| \ln \delta | .$ This is true both in the near critical regime $(0\leq \delta \leq 0.1)$ as well as in the far regime $(0\leq \delta <1)$. It is suggested that the unexpanded exchange coupling is as much a source of the logarithmic dependence as a correction due to the contribution of umklapp processes. Staggered magnetization is shown to follow the same $\delta$-dependence in all the configurations in the small $\delta$-regime, while for $0\leq \delta <1$, it follows the power law $\delta ^{x}$.Comment: 12 pages, 7 Postscript figures, RevTex forma

Structural and Electronic Instabilities in Polyacenes: Density Matrix Renormalization Group Study of a Long--Range Interacting Model

We have carried out Density Matrix Renormalization Group (DMRG) calculations on the ground state of long polyacene oligomers within a Pariser-Parr-Pople (PPP) Hamiltonian. The PPP model includes long-range electron correlations which are required for physically realistic modeling of conjugated polymers. We have obtained the ground state energy as a function of the dimerization $\delta$ and various correlation functions and structure factors for $\delta=0$. From energetics, we find that while the nature of the Peierls' instabilityin polyacene is conditional and strong electron correlations enhance the dimerization. The {\it cis} form of the distortion is favoured over the {\it trans} form. However, from the analysis of correlation functions and associated structure factors, we find that polyacene is not susceptible to the formation of a bond order wave (BOW), spin density wave (SDW) or a charge density wave (CDW) in the ground state.Comment: 31 pages, latex, 13 figure

Excitons in quasi-one dimensional organics: Strong correlation approximation

An exciton theory for quasi-one dimensional organic materials is developed in the framework of the Su-Schrieffer-Heeger Hamiltonian augmented by short range extended Hubbard interactions. Within a strong electron-electron correlation approximation, the exciton properties are extensively studied. Using scattering theory, we analytically obtain the exciton energy and wavefunction and derive a criterion for the existence of a $B_u$ exciton. We also systematically investigate the effect of impurities on the coherent motion of an exciton. The coherence is measured by a suitably defined electron-hole correlation function. It is shown that, for impurities with an on-site potential, a crossover behavior will occur if the impurity strength is comparable to the bandwidth of the exciton, corresponding to exciton localization. For a charged impurity with a spatially extended potential, in addition to localization the exciton will dissociate into an uncorrelated electron-hole pair when the impurity is sufficiently strong to overcome the Coulomb interaction which binds the electron-hole pair. Interchain coupling effects are also discussed by considering two polymer chains coupled through nearest-neighbor interchain hopping $t_{\perp}$ and interchain Coulomb interaction $V_{\perp}$. Within the $t$ matrix scattering formalism, for every center-of-mass momentum, we find two poles determined only by $V_{\perp}$, which correspond to the interchain excitons. Finally, the exciton state is used to study the charge transfer from a polymer chain to an adjacent dopant molecule.Comment: 24 pages, 23 eps figures, pdf file of the paper availabl