Scattering of rare-gas atoms at a metal surface: evidence of anticorrugation of the helium-atom potential-energy surface and the surface electron density

Recent measurements of the scattering of He and Ne atoms at Rh(110) suggest that these two rare-gas atoms measure a qualitatively different surface corrugation: While Ne atom scattering seemingly reflects the electron-density undulation of the substrate surface, the scattering potential of He atoms appears to be anticorrugated. An understanding of this perplexing result is lacking. In this paper we present density functional theory calculations of the interaction potentials of He and Ne with Rh(110). We find that, and explain why, the nature of the interaction of the two probe particles is qualitatively different, which implies that the topographies of their scattering potentials are indeed anticorrugated.Comment: RevTeX, 4 pages, 10 figure

Anomalous thermal conductivity and local temperature distribution on harmonic Fibonacci chains

The harmonic Fibonacci chain, which is one of a quasiperiodic chain constructed with a recursion relation, has a singular continuous frequency-spectrum and critical eigenstates. The validity of the Fourier law is examined for the harmonic Fibonacci chain with stochastic heat baths at both ends by investigating the system size N dependence of the heat current J and the local temperature distribution. It is shown that J asymptotically behaves as (ln N)^{-1} and the local temperature strongly oscillates along the chain. These results indicate that the Fourier law does not hold on the harmonic Fibonacci chain. Furthermore the local temperature exhibits two different distribution according to the generation of the Fibonacci chain, i.e., the local temperature distribution does not have a definite form in the thermodynamic limit. The relations between N-dependence of J and the frequency-spectrum, and between the local temperature and critical eigenstates are discussed.Comment: 10 pages, 4 figures, submitted to J. Phys.: Cond. Ma

Transport in the XX chain at zero temperature: Emergence of flat magnetization profiles

We study the connection between magnetization transport and magnetization profiles in zero-temperature XX chains. The time evolution of the transverse magnetization, m(x,t), is calculated using an inhomogeneous initial state that is the ground state at fixed magnetization but with m reversed from -m_0 for x0. In the long-time limit, the magnetization evolves into a scaling form m(x,t)=P(x/t) and the profile develops a flat part (m=P=0) in the |x/t|1/2 while it expands with the maximum velocity, c_0=1, for m_0->0. The states emerging in the scaling limit are compared to those of a homogeneous system where the same magnetization current is driven by a bulk field, and we find that the expectation values of various quantities (energy, occupation number in the fermionic representation) agree in the two systems.Comment: RevTex, 8 pages, 3 ps figure

Heat conduction in the diatomic Toda lattice revisited

The problem of the diverging thermal conductivity in one-dimensional (1-D) lattices is considered. By numerical simulations, it is confirmed that the thermal conductivity of the diatomic Toda lattice diverges, which is opposite to what one has believed before. Also the diverging exponent is found to be almost the same as the FPU chain. It is reconfirmed that the diverging thermal conductivity is universal in 1-D systems where the total momentum preserves.Comment: 3 pages, 3 figures. To appear in Phys. Rev.

Estimation of Mortalities

If a linear regression is fit to log-transformed mortalities and the estimate is back-transformed according to the formula Ee^Y = e^{\mu + \sigma^2/2} a systematic bias occurs unless the error distribution is normal and the scale estimate is gauged to normal variance. This result is a consequence of the uniqueness theorem for the Laplace transform. We determine the systematic bias of minimum-L_2 and minimum-L_1 estimation with sample variance and interquartile range of the residuals as scale estimates under a uniform and four contaminated normal error distributions. Already under innocent looking contaminations the true mortalities may be underestimated by 50% in the long run. Moreover, the logarithmic transformation introduces an instability into the model that results in a large discrepancy between rg_Huber estimates as the tuning constant regulating the degree of robustness varies. Contrary to the logarithm the square root stabilizes variance, diminishes the influence of outliers, automatically copes with observed zeros, allows the `nonparametric' back-transformation formula E Y^2 = \mue^2 + \sigma^2, and in the homoskedastic case avoids a systematic bias of minimum-L_2 estimation with sample variance. For the company-specific table 3 of [Loeb94], in the age range of 20-65 years, we fit a parabola to root mortalities by minimum-L_2 , minimum-L_1, and robust rg_Huber regression estimates, and a cubic and exponential by least squares. The fits thus obtained in the original model are excellent and practically indistinguishable by a \chi^2 goodness-of-fit test. Finally , dispensing with the transformation of observations, we employ a Poisson generalized linear model and fit an exponential and a cubic by maximum likelihood

Understanding atom movement during lateral manipulation with the STM tip using a simple simulation method

Kühnle A, Meyer G, Hla SW, Rieder K-H. Understanding atom movement during lateral manipulation with the STM tip using a simple simulation method. Surface Science. 2002;499(1):15-23.We report on a fast simulation method to investigate the movement of an atom induced by the tip during lateral manipulation with a scanning tunneling microscope. The simulation is based on a model assuming the atom moving in the combined potential of tip and surface. The pathway of the tip is subdivided in small steps, and the atomic position for each step is calculated by an iterative algorithm searching for the closest energetic minimum. The method is demonstrated for manipulation on the (111) surface of an fcc metal. Our model calculations predict which energetic minima of the surface are attained by the atom during manipulation. The details of the modelled manipulation curves allow a precise description of the atomic pathway in dependence on manipulation direction and positioning of the tip relative to the atom. Furthermore, the simulation predicts a transition from the so-called pulling to sliding manipulation mode upon reducing tip-surface distance, well in agreement with general experimental observations. To test our algorithm we present experimental results for the manipulation of iodine on Cu(I 11) along the [211] direction and compare them to simulated manipulation curves. The comparison allows for a complete understanding of all details in atomic movements during manipulation along a complicated path. (C) 2001 Published by Elsevier Science B.V

A Symmetry Property of Momentum Distribution Functions in the Nonequilibrium Steady State of Lattice Thermal Conduction

We study a symmetry property of momentum distribution functions in the steady state of heat conduction. When the equation of motion is symmetric under change of signs for all dynamical variables, the distribution function is also symmetric. This symmetry can be broken by introduction of an asymmetric term in the interaction potential or the on-site potential, or employing the thermal walls as heat reservoirs. We numerically find differences of behavior of the models with and without the on-site potential.Comment: 13 pages. submitted to JPS

Controlled lateral manipulation of single diiodobenzene molecules on the Cu(111) surface with the tip of a scanning tunnelling microscope

Hla SW, Kühnle A, Bartels L, Meyer G, Rieder KH. Controlled lateral manipulation of single diiodobenzene molecules on the Cu(111) surface with the tip of a scanning tunnelling microscope. Surface Science. 2000;454:1079-1084.We report on the controlled lateral manipulations of adsorbed single diiodobenzene molecules on the Cu(111) surface with a scanning tunnelling microscope (STM) tip at 20 K. The molecular motions in this experiment are mainly induced by the attractive interaction between the tip and the molecule. Even though the leading manipulation mode is 'pulling', a continuous 'sliding' mode can also be induced if we use higher tip-molecule interaction forces. During the manipulation process, the molecules can follow the tip with hops of single or double copper-atomic-site distances and in some cases 'hop-scotch' type movements can also be observed. (C) 2000 Elsevier Science B.V. All rights reserved