Effective calculation of LEED intensities using symmetry-adapted functions

The calculation of LEED intensities in a spherical-wave representation can be substantially simplified by symmetry relations. The wave field around each atom is expanded in symmetry-adapted functions where the local point symmetry of the atomic site applies. For overlayer systems with more than one atom per unit cell symmetry-adapted functions can be used when the division of the crystal into monoatomic subplanes is replaced by division into subplanes containing all symmetrically equivalent atomic positions

Boxfishes (Teleostei: Ostraciidae) as a model system for fishes swimming with many fins: kinematics

Swimming movements in boxfishes were much more complex and varied than classical descriptions indicated. At low to moderate rectilinear swimming speeds (<5 TL s^(-1), where TL is total body length), they were entirely median- and paired-fin swimmers, apparently using their caudal fins for steering. The pectoral and median paired fins generate both the thrust needed for forward motion and the continuously varied, interacting forces required for the maintenance of rectilinearity. It was only at higher swimming speeds (above 5 TL s^(-1)), when burst-and-coast swimming was used, that they became primarily body and caudal-fin swimmers. Despite their unwieldy appearance and often asynchronous fin beats, boxfish swam in a stable manner. Swimming boxfish used three gaits. Fin-beat asymmetry and a relatively nonlinear swimming trajectory characterized the first gait (0–1 TL s^(-1)). The beginning of the second gait (1–3 TL s^(-1)) was characterized by varying fin-beat frequencies and amplitudes as well as synchrony in pectoral fin motions. The remainder of the second gait (3–5 TL s^(-1)) was characterized by constant fin-beat amplitudes, varying finbeat frequencies and increasing pectoral fin-beat asynchrony. The third gait (>5 TL s^(-1)) was characterized by the use of a caudal burst-and-coast variant. Adduction was always faster than abduction in the pectoral fins. There were no measurable refractory periods between successive phases of the fin movement cycles. Dorsal and anal fin movements were synchronized at speeds greater than 2.5 TL s^(-1), but were often out of phase with pectoral fin movements

The order of the metal to superconductor transition

We present results from large-scale Monte Carlo simulations on the full Ginzburg-Landau (GL) model, including fluctuations in the amplitude and the phase of the matter-field, as well as fluctuations of the non-compact gauge-field of the theory. {}From this we obtain a precise critical value of the GL parameter \kct separating a first order metal to superconductor transition from a second order one, \kct = (0.76\pm 0.04)/\sqrt{2}. This agrees surprisingly well with earlier analytical results based on a disorder theory of the superconductor to metal transition, where the value \kct=0.798/\sqrt{2} was obtained. To achieve this, we have done careful infinite volume and continuum limit extrapolations. In addition we offer a novel interpretation of \kct, namely that it is also the value separating \typeI and \typeII behaviour.<Comment: Minor corrections, present version accepted for publication in PR

Conserved Growth on Vicinal Surfaces

A crystal surface which is miscut with respect to a high symmetry plane exhibits steps with a characteristic distance. It is argued that the continuum description of growth on such a surface, when desorption can be neglected, is given by the anisotropic version of the conserved KPZ equation (T. Sun, H. Guo, and M. Grant, Phys. Rev. A 40, 6763 (1989)) with non-conserved noise. A one--loop dynamical renormalization group calculation yields the values of the dynamical exponent and the roughness exponent which are shown to be the same as in the isotropic case. The results presented here should apply in particular to growth under conditions which are typical for molecular beam epitaxy.Comment: 10 pages, uses revte

Self-limited oxide formation in Ni(111) oxidation

The oxidation of the Ni(111) surface is studied experimentally with low energy electron microscopy and theoretically by calculating the electron reflectivity for realistic models of the NiO/Ni(111) surface with an ab-initio scattering theory. Oxygen exposure at 300 K under ultrahigh-vacuum conditions leads to the formation of a continuous NiO(111)-like film consisting of nanosized domains. At 750 K, we observe the formation of a nano-heterogeneous film composed primarily of NiO(111)-like surface oxide nuclei, which exhibit virtually the same energy-dependent reflectivity as in the case of 300 K and which are separated by oxygen-free Ni(111) terraces. The scattering theory explains the observed normal incidence reflectivity R(E) of both the clean and the oxidized Ni(111) surface. At low energies R(E) of the oxidized surface is determined by a forbidden gap in the k_parallel=0 projected energy spectrum of the bulk NiO crystal. However, for both low and high temperature oxidation a rapid decrease of the reflectivity in approaching zero kinetic energy is experimentally observed. This feature is shown to characterize the thickness of the oxide layer, suggesting an average oxide thickness of two NiO layers.Comment: 10 pages (in journal format), 9 figure

Manifestation of quantum chaos on scattering techniques: application to low-energy and photo-electron diffraction intensities

Intensities of LEED and PED are analyzed from a statistical point of view. The probability distribution is compared with a Porter-Thomas law, characteristic of a chaotic quantum system. The agreement obtained is understood in terms of analogies between simple models and Berry's conjecture for a typical wavefunction of a chaotic system. The consequences of this behaviour on surface structural analysis are qualitatively discussed by looking at the behaviour of standard correlation factors.Comment: 5 pages, 4 postscript figures, Latex, APS, http://www.icmm.csic.es/Pandres/pedro.ht

From Bloch model to the rate equations II: the case of almost degenerate energy levels

Bloch equations give a quantum description of the coupling between an atom and a driving electric force. In this article, we address the asymptotics of these equations for high frequency electric fields, in a weakly coupled regime. We prove the convergence towards rate equations (i.e. linear Boltzmann equations, describing the transitions between energy levels of the atom). We give an explicit form for the transition rates. This has already been performed in [BFCD03] in the case when the energy levels are fixed, and for different classes of electric fields: quasi or almost periodic, KBM, or with continuous spectrum. Here, we extend the study to the case when energy levels are possibly almost degenerate. However, we need to restrict to quasiperiodic forcings. The techniques used stem from manipulations on the density matrix and the averaging theory for ordinary differential equations. Possibly perturbed small divisor estimates play a key role in the analysis. In the case of a finite number of energy levels, we also precisely analyze the initial time-layer in the rate aquation, as well as the long-time convergence towards equilibrium. We give hints and counterexamples in the infinite dimensional case

Effect of bonding of a CO molecule on the conductance of atomic metal wires

We have measured the effect of bonding of a CO molecule on the conductance of Au, Cu, Pt, and Ni atomic contacts at 4.2 K. When CO gas is admitted to the metal nano contacts, a conductance feature appears in the conductance histogram near 0.5 of the quantum unit of conductance, for all metals. For Au, the intensity of this fractional conductance feature can be tuned with the bias voltage, and it disappears at high bias voltage (above $\sim$ 200 mV). The bonding of CO to Au appears to be weakest, and associated with monotomic Au wire formation.Comment: 6 figure