Geometrical Models of the Phase Space Structures Governing Reaction Dynamics

Hamiltonian dynamical systems possessing equilibria of ${saddle} \times {centre} \times...\times {centre}$ stability type display \emph{reaction-type dynamics} for energies close to the energy of such equilibria; entrance and exit from certain regions of the phase space is only possible via narrow \emph{bottlenecks} created by the influence of the equilibrium points. In this paper we provide a thorough pedagogical description of the phase space structures that are responsible for controlling transport in these problems. Of central importance is the existence of a \emph{Normally Hyperbolic Invariant Manifold (NHIM)}, whose \emph{stable and unstable manifolds} have sufficient dimensionality to act as separatrices, partitioning energy surfaces into regions of qualitatively distinct behavior. This NHIM forms the natural (dynamical) equator of a (spherical) \emph{dividing surface} which locally divides an energy surface into two components (`reactants' and `products'), one on either side of the bottleneck. This dividing surface has all the desired properties sought for in \emph{transition state theory} where reaction rates are computed from the flux through a dividing surface. In fact, the dividing surface that we construct is crossed exactly once by reactive trajectories, and not crossed by nonreactive trajectories, and related to these properties, minimizes the flux upon variation of the dividing surface. We discuss three presentations of the energy surface and the phase space structures contained in it for 2-degree-of-freedom (DoF) systems in the threedimensional space $\R^3$, and two schematic models which capture many of the essential features of the dynamics for $n$-DoF systems. In addition, we elucidate the structure of the NHIM.Comment: 44 pages, 38 figures, PDFLaTe

Electronic correlation effects and the Coulomb gap at finite temperature

We have investigated the effect of the long-range Coulomb interaction on the one-particle excitation spectrum of n-type Germanium, using tunneling spectroscopy on mechanically controllable break junctions. The tunnel conductance was measured as a function of energy and temperature. At low temperatures, the spectra reveal a minimum at zero bias voltage due to the Coulomb gap. In the temperature range above 1 K the Coulomb gap is filled by thermal excitations. This behavior is reflected in the temperature dependence of the variable-range hopping resitivity measured on the same samples: Up to a few degrees Kelvin the Efros-Shkovskii ln$R \propto T^{-1/2}$ law is obeyed, whereas at higher temperatures deviations from this law are observed, indicating a cross-over to Mott's ln$R \propto T^{-1/4}$ law. The mechanism of this cross-over is different from that considered previously in the literature.Comment: 3 pages, 3 figure

Monte-Carlo Simulations of the Dynamical Behavior of the Coulomb Glass

We study the dynamical behavior of disordered many-particle systems with long-range Coulomb interactions by means of damage-spreading simulations. In this type of Monte-Carlo simulations one investigates the time evolution of the damage, i.e. the difference of the occupation numbers of two systems, subjected to the same thermal noise. We analyze the dependence of the damage on temperature and disorder strength. For zero disorder the spreading transition coincides with the equilibrium phase transition, whereas for finite disorder, we find evidence for a dynamical phase transition well below the transition temperature of the pure system.Comment: 10 pages RevTeX, 8 Postscript figure

Temperature dependence of the electron spin g factor in GaAs

The temperature dependence of the electron spin $g$ factor in GaAs is investigated experimentally and theoretically. Experimentally, the $g$ factor was measured using time-resolved Faraday rotation due to Larmor precession of electron spins in the temperature range between 4.5 K and 190 K. The experiment shows an almost linear increase of the $g$ value with the temperature. This result is in good agreement with other measurements based on photoluminescence quantum beats and time-resolved Kerr rotation up to room temperature. The experimental data are described theoretically taking into account a diminishing fundamental energy gap in GaAs due to lattice thermal dilatation and nonparabolicity of the conduction band calculated using a five-level kp model. At higher temperatures electrons populate higher Landau levels and the average $g$ factor is obtained from a summation over many levels. A very good description of the experimental data is obtained indicating that the observed increase of the spin $g$ factor with the temperature is predominantly due to band's nonparabolicity.Comment: 6 pages 4 figure

Dissipative Quantum Systems with Potential Barrier. General Theory and Parabolic Barrier

We study the real time dynamics of a quantum system with potential barrier coupled to a heat-bath environment. Employing the path integral approach an evolution equation for the time dependent density matrix is derived. The time evolution is evaluated explicitly near the barrier top in the temperature region where quantum effects become important. It is shown that there exists a quasi-stationary state with a constant flux across the potential barrier. This state generalizes the Kramers flux solution of the classical Fokker-Planck equation to the quantum regime. In the temperature range explored the quantum flux state depends only on the parabolic approximation of the anharmonic barrier potential near the top. The parameter range within which the solution is valid is investigated in detail. In particular, by matching the flux state onto the equilibrium state on one side of the barrier we gain a condition on the minimal damping strength. For very high temperatures this condition reduces to a known result from classical rate theory. Within the specified parameter range the decay rate out of a metastable state is calculated from the flux solution. The rate is shown to coincide with the result of purely thermodynamic methods. The real time approach presented can be extended to lower temperatures and smaller damping.Comment: 29 pages + 1 figure as compressed ps-file (uufiles) to appear in Phys. Rev.

Hopping Conduction in Uniaxially Stressed Si:B near the Insulator-Metal Transition

Using uniaxial stress to tune the critical density near that of the sample, we have studied in detail the low-temperature conductivity of p-type Si:B in the insulating phase very near the metal-insulator transition. For all values of temperature and stress, the conductivity collapses onto a single universal scaling curve. For large values of the argument, the scaling function is well fit by the exponentially activated form associated with variable range hopping when electron-electron interactions cause a soft Coulomb gap in the density of states at the Fermi energy. The temperature dependence of the prefactor, corresponding to the T-dependence of the critical curve, has been determined reliably for this system, and is proportional to the square-root of T. We show explicitly that nevlecting the prefactor leads to substantial errors in the determination of the scaling parameters and the critical exponents derived from them. The conductivity is not consistent with Mott variable-range hopping in the critical region nor does it obey this form for any range of the parameters. Instead, for smaller argument of the scaling function, the conductivity of Si:B is well fit by an exponential form with exponent 0.31 related to the critical exponents of the system at the metal- insulator transition.Comment: 13 pages, 6 figure

Explicit Solution of the Time Evolution of the Wigner Function

Previously, an explicit solution for the time evolution of the Wigner function was presented in terms of auxiliary phase space coordinates which obey simple equations that are analogous with, but not identical to, the classical equations of motion. They can be solved easily and their solutions can be utilized to construct the time evolution of the Wigner function. In this paper, the usefulness of this explicit solution is demonstrated by solving a numerical example in which the Wigner function has strong spatial and temporal variations as well as regions with negative values. It is found that the explicit solution gives a correct description of the time evolution of the Wigner function. We examine next the pseudoparticle approximation which uses classical trajectories to evolve the Wigner function. We find that the pseudoparticle approximation reproduces the general features of the time evolution, but there are deviations. We show how these deviations can be systematically reduced by including higher-order correction terms in powers of $\hbar^2$.Comment: 16 pages, in LaTex, invited talk presented at the Wigner Centennial Conference, Pecs, Hungary, July 8-12, 2002, to be published in the Journal of Optics B: Quantum and Classical Optics, June 200

Two-photon spin injection in semiconductors

A comparison is made between the degree of spin polarization of electrons excited by one- and two-photon absorption of circularly polarized light in bulk zincblende semiconductors. Time- and polarization-resolved experiments in (001)-oriented GaAs reveal an initial degree of spin polarization of 49% for both one- and two-photon spin injection at wavelengths of 775 and 1550 nm, in agreement with theory. The macroscopic symmetry and microscopic theory for two-photon spin injection are reviewed, and the latter is generalized to account for spin-splitting of the bands. The degree of spin polarization of one- and two-photon optical orientation need not be equal, as shown by calculations of spectra for GaAs, InP, GaSb, InSb, and ZnSe using a 14x14 k.p Hamiltonian including remote band effects. By including the higher conduction bands in the calculation, cubic anisotropy and the role of allowed-allowed transitions can be investigated. The allowed-allowed transitions do not conserve angular momentum and can cause a high degree of spin polarization close to the band edge; a value of 78% is calculated in GaSb, but by varying the material parameters it could be as high as 100%. The selection rules for spin injection from allowed-allowed transitions are presented, and interband spin-orbit coupling is found to play an important role.Comment: 12 pages including 7 figure

Electron Glass in Ultrathin Granular Al Films at Low Temperatures

Quench-condensed granular Al films, with normal-state sheet resistance close to 10 k$\Omega/\Box$, display strong hysteresis and ultraslow, non-exponential relaxation in the resistance when temperature is varied below 300 mK. The hysteresis is nonlinear and can be suppressed by a dc bias voltage. The relaxation time does not obey the Arrhenius form, indicating the existence of a broad distribution of low energy barriers. Furthermore, large resistance fluctuations, having a 1/f-type power spectrum with a low-frequency cut-off, are observed at low temperatures. With decreasing temperature, the amplitude of the fluctuation increases and the cut-off frequency decreases. These observations combine to provide a coherent picture that there exists a new glassy electron state in ultrathin granular Al films, with a growing correlation length at low temperatures.Comment: RevTeX 3.1, 4 pages, 4 figures (EPS files) (Minor Additions