Charge-carrier transport properties of ultrathin Pb films

The charge-carrier transport properties of ultrathin metallic films are analysed with ab-initio methods using the density functional theory (DFT) on free-standing single crystalline slabs in the thickness range between 1 and 8 monolayers and compared with experiments for Pb films on Si(111). A strong interplay between bandstructure, quantised in the direction normal to the ultrathin film, charge-carrier scattering mechanisms and magnetoconduction was found. Based on the bandstructure obtained from the DFT, we used standard Boltzmann transport theory in two dimensions to obtain results for the electronic transport properties of 2 to 8 monolayers thick Pb(111) slabs with and without magnetic field. Comparison of calculations and experiment for the thickness dependence of the dc conductivity shows that the dominant scattering mechanism of electrons is diffuse elastic interface scattering for which the assumption of identical scattering times for all subbands and directions, used in this paper, is a good approximation. Within this model we can explain the thickness dependences of the electric conductivity and of the Hall coefficient as well as the anomalous behaviour of the first Pb layer.Comment: 7 pages incl. 9 figures, submitted to the European Physical Journal

Nonlinear elastic and electronic properties of Mo_6S_3I_6 nanowires

The properties of Mo_6S_3I_6 nanowires were investigated with ab initio calculations based on the density-functional theory. The molecules build weakly coupled one-dimensional chains with three sulfur atoms in the bridging planes between the Mo octahedra, each dressed with six iodines. Upon uniaxial strain along the wires, each bridging plane shows two energy minima, one in the ground state with the calculated Young modulus Y=82 GPa, and one in the stretched state with Y=94 GPa. Both values are at least four times smaller than the experimental values and the origin of the discrepancy remains a puzzle. The ideal tensile strength is about 8.4 GPa, the chains break in the Mo-Mo bonds within the octahedra and not in the S bridges. The charge-carrier conductivity is strongly anisotropic and the Mo_6S_3I_6 nanowires behave as quasi-one-dimensional conductors in the whole range of investigated strains. The conductivity is extremely sensitive to strain, making this material very suitable for stain gauges. Very clean nanowires with good contacts may be expected to behave as ballistic quantum wires over lengths of several $\mu$m. On the other hand, with high-impedance contacts they are good candidates for the observation of Luttinger liquid behaviour. The pronounced 1D nature of the Mo_6S_3I_6 nanowires makes them a uniquely versatile and user-friendly system for the investigation of 1D physics.Comment: 7 pages, 8 figures include

Reconstructed Rough Growing Interfaces; Ridgeline Trapping of Domain Walls

We investigate whether surface reconstruction order exists in stationary growing states, at all length scales or only below a crossover length, $l_{\rm rec}$. The later would be similar to surface roughness in growing crystal surfaces; below the equilibrium roughening temperature they evolve in a layer-by-layer mode within a crossover length scale $l_{\rm R}$, but are always rough at large length scales. We investigate this issue in the context of KPZ type dynamics and a checker board type reconstruction, using the restricted solid-on-solid model with negative mono-atomic step energies. This is a topology where surface reconstruction order is compatible with surface roughness and where a so-called reconstructed rough phase exists in equilibrium. We find that during growth, reconstruction order is absent in the thermodynamic limit, but exists below a crossover length $l_{\rm rec}>l_{\rm R}$, and that this local order fluctuates critically. Domain walls become trapped at the ridge lines of the rough surface, and thus the reconstruction order fluctuations are slaved to the KPZ dynamics

Magnetic versus nonmagnetic doping effects on the magnetic ordering in the Haldane chain compound PbNi2V2O8

A study of an impurity driven phase-transition into a magnetically ordered state in the spin-liquid Haldane chain compound PbNi2V2O8 is presented. Both, macroscopic magnetization as well as 51V nuclear magnetic resonance (NMR) measurements reveal that the spin nature of dopants has a crucial role in determining the stability of the induced long-range magnetic order. In the case of nonmagnetic (Mg2+) doping on Ni2+ spin sites (S=1) a metamagnetic transition is observed in relatively low magnetic fields. On the other hand, the magnetic order in magnetically (Co2+) doped compounds survives at much higher magnetic fields and temperatures, which is attributed to a significant anisotropic impurity-host magnetic interaction. The NMR measurements confirm the predicted staggered nature of impurity-liberated spin degrees of freedom, which are responsible for the magnetic ordering. In addition, differences in the broadening of the NMR spectra and the increase of nuclear spin-lattice relaxation in doped samples, indicate a diverse nature of electron spin correlations in magnetically and nonmagnetically doped samples, which begin developing at rather high temperatures with respect to the antiferromagnetic phase transition.Comment: 10 pages, 7 figure

Active beating of a reconstituted synthetic minimal axoneme

Propelling microorganisms through fluids and moving fluids along cellular surfaces are essential biological functions accomplished by long, thin structures called motile cilia and flagella, whose regular, oscillatory beating breaks the time-reversal symmetry required for transport. Although top-down experimental approaches and theoretical models have allowed us to broadly characterize such organelles and propose mechanisms underlying their complex dynamics, constructing minimal systems capable of mimicking ciliary beating and identifying the role of each component remains a challenge. Here we report the bottom-up assembly of a minimal synthetic axoneme, which we call a synthoneme, using biological building blocks from natural organisms, namely pairs of microtubules and cooperatively associated axonemal dynein motors. We show that upon provision of energy by ATP, microtubules undergo rhythmic bending by cyclic association-dissociation of dyneins. Our simple and unique beating minimal synthoneme represents a self-organized nanoscale biomolecular machine that can also help understand the mechanisms underlying ciliary beating

Anomalous thickness dependence of the Hall effect in ultrathin Pb layers on Si(111)

The magnetoconductive properties of ultrathin Pb films deposited on Si(111) are measured and compared with density-functional electronic band-structure calculations on two-dimensional, free-standing, 1 to 8 monolayers thick Pb(111) slabs. A description with free-standing slabs is possible because it turned out that the Hall coefficient is independent of the substrate and of the crystalline order in the film. We show that the oscillations in sign of the Hall coefficient observed as a function of film thickness can be explained directly from the thickness dependent variations of the electronic bandstructure at the Fermi energy.Comment: 4 pages incl. 3 figures, RevTeX, to appear in Phys. Rev.

Novel Phases and Finite-Size Scaling in Two-Species Asymmetric Diffusive Processes

We study a stochastic lattice gas of particles undergoing asymmetric diffusion in two dimensions. Transitions between a low-density uniform phase and high-density non-uniform phases characterized by localized or extended structure are found. We develop a mean-field theory which relates coarse-grained parameters to microscopic ones. Detailed predictions for finite-size ($L$) scaling and density profiles agree excellently with simulations. Unusual large-$L$ behavior of the transition point parallel to that of self-organized sandpile models is found.Comment: 7 pages, plus 6 figures uuencoded, compressed and appended after source code, LATeX, to be published as a Phys. Rev. Let

Phase Transition in the ABC Model

Recent studies have shown that one-dimensional driven systems can exhibit phase separation even if the dynamics is governed by local rules. The ABC model, which comprises three particle species that diffuse asymmetrically around a ring, shows anomalous coarsening into a phase separated steady state. In the limiting case in which the dynamics is symmetric and the parameter $q$ describing the asymmetry tends to one, no phase separation occurs and the steady state of the system is disordered. In the present work we consider the weak asymmetry regime $q=\exp{(-\beta/N)}$ where $N$ is the system size and study how the disordered state is approached. In the case of equal densities, we find that the system exhibits a second order phase transition at some nonzero $\beta_c$. The value of $\beta_c = 2 \pi \sqrt{3}$ and the optimal profiles can be obtained by writing the exact large deviation functional. For nonequal densities, we write down mean field equations and analyze some of their predictions.Comment: 18 pages, 3 figure

Effects of differential mobility on biased diffusion of two species

Using simulations and a simple mean-field theory, we investigate jamming transitions in a two-species lattice gas under non-equilibrium steady-state conditions. The two types of particles diffuse with different mobilities on a square lattice, subject to an excluded volume constraint and biased in opposite directions. Varying filling fraction, differential mobility, and drive, we map out the phase diagram, identifying first order and continuous transitions between a free-flowing disordered and a spatially inhomogeneous jammed phase. Ordered structures are observed to drift, with a characteristic velocity, in the direction of the more mobile species.Comment: 15 pages, 4 figure

Structure Factors and Their Distributions in Driven Two-Species Models

We study spatial correlations and structure factors in a three-state stochastic lattice gas, consisting of holes and two oppositely ``charged'' species of particles, subject to an ``electric'' field at zero total charge. The dynamics consists of two nearest-neighbor exchange processes, occuring on different times scales, namely, particle-hole and particle-particle exchanges. Using both, Langevin equations and Monte Carlo simulations, we study the steady-state structure factors and correlation functions in the disordered phase, where density profiles are homogeneous. In contrast to equilibrium systems, the average structure factors here show a discontinuity singularity at the origin. The associated spatial correlation functions exhibit intricate crossovers between exponential decays and power laws of different kinds. The full probability distributions of the structure factors are universal asymmetric exponential distributions.Comment: RevTex, 18 pages, 4 postscript figures included, mistaken half-empty page correcte