Two-probe theory of scanning tunneling microscopy of single molecules: Zn(II)-etioporphyrin on alumina

We explore theoretically the scanning tunneling microscopy of single molecules on substrates using a framework of two local probes. This framework is appropriate for studying electron flow in tip/molecule/substrate systems where a thin insulating layer between the molecule and a conducting substrate transmits electrons non-uniformly and thus confines electron transmission between the molecule and substrate laterally to a nanoscale region significantly smaller in size than the molecule. The tip-molecule coupling and molecule-substrate coupling are treated on the same footing, as local probes to the molecule, with electron flow modelled using the Lippmann-Schwinger Green function scattering technique. STM images are simulated for various positions of the stationary (substrate) probe below a Zn(II)-etioporphyrin I molecule. We find that these images have a strong dependence on the substrate probe position, indicating that electron flow can depend strongly on both tip position and the location of the dominant molecule-substrate coupling. Differences in the STM images are explained in terms of the molecular orbitals that mediate electron flow in each case. Recent experimental results, showing STM topographs of Zn(II)-etioporphyrin I on alumina/NiAl(110) to be strongly dependent on which individual molecule on the substrate is being probed, are explained using this model. A further experimental test of the model is also proposed.Comment: Physical Review B, in pres

Approximating the Maximum Overlap of Polygons under Translation

Let $P$ and $Q$ be two simple polygons in the plane of total complexity $n$, each of which can be decomposed into at most $k$ convex parts. We present an $(1-\varepsilon)$-approximation algorithm, for finding the translation of $Q$, which maximizes its area of overlap with $P$. Our algorithm runs in $O(c n)$ time, where $c$ is a constant that depends only on $k$ and $\varepsilon$. This suggest that for polygons that are "close" to being convex, the problem can be solved (approximately), in near linear time

System multilayered applied to the radiative cooling

In applied optics, the multilayered structures (MLS) take an important place in many instrumental and industrial devices. The aim of this work is to study the MLS in order to optimize the inverse greenhouse effect; it is made by a survey on theoretical formalism of the energy exchange phenomena. This optimization requires that the window materials (MLS) are good reflectors in the visible range and assuring a total transmission in the infrared zone (8-13 µm); One of the support elements, of the window, answering to these criterions is germanium, for which we have studied the thickness influence and have found that the equilibrium temperature reached by the absorber has a minimal value between 0.01 µm and 0.06 µm. However, only with germanium, the window can not products the inverse greenhouse effect. Indeed, the germanium must include other layers in order to increase the visible reflectance and the infrared transmittance (8-13µm); what forms a multilayered structure. Several system have been used, only 7 of them have been kept for this work: S1, S2, …, S7 systems. Only the following systems: S2/S1, S3/S2/S1 and MgO/S3/S2/S1 give a radiative cooling effect, with a very good result of 15 °C below ambient temperature in the case of the S6 system. To approach of the real conditions of this system realization (S6), we simulated the effects of such imperfections, as presence of air, that would be due to the quality of the layers deposition. This study is made in the case of the S7 system. As results, we found that, for zenithal angles ≤ 60°, the layers of air, for which the thickness is lower than 0.5 µm, don't present any influence on the absorber's equilibrium temperature.In applied optics, the multilayered structures (MLS) take an important place in many instrumental and industrial devices. The aim of this work is to study the MLS in order to optimize the inverse greenhouse effect; it is made by a survey on theoretical formalism of the energy exchange phenomena. This optimization requires that the window materials (MLS) are good reflectors in the visible range and assuring a total transmission in the infrared zone (8-13 µm); One of the support elements, of the window, answering to these criterions is germanium, for which we have studied the thickness influence and have found that the equilibrium temperature reached by the absorber has a minimal value between 0.01 µm and 0.06 µm. However, only with germanium, the window can not products the inverse greenhouse effect. Indeed, the germanium must include other layers in order to increase the visible reflectance and the infrared transmittance (8-13µm); what forms a multilayered structure. Several system have been used, only 7 of them have been kept for this work: S1, S2, …, S7 systems. Only the following systems: S2/S1, S3/S2/S1 and MgO/S3/S2/S1 give a radiative cooling effect, with a very good result of 15 °C below ambient temperature in the case of the S6 system. To approach of the real conditions of this system realization (S6), we simulated the effects of such imperfections, as presence of air, that would be due to the quality of the layers deposition. This study is made in the case of the S7 system. As results, we found that, for zenithal angles ≤ 60°, the layers of air, for which the thickness is lower than 0.5 µm, don't present any influence on the absorber's equilibrium temperature

Structure of the specific combining ability between two species of Eucalyptus. II. A clustering approach and a multiplicative model

International audienceThe Eucalyptus breeding program of URPPI (a partnership between CIRAD-Fore t, Centre National de la Recherche Forestie re du Congo, and Unite dÕAforestation Industrielle du Congo) consists of a re- ciprocal recurrent selection scheme developed in the Congo between the two species Eucalyptus urophylla and Eucalyptus grandis. Two approaches are proposed in order to model and predict the speciÞc combining ability (SCA) between these species. The clustering ap- proach uses a simultaneous clustering procedure of the two species based on SCA and reveals heterotic groups coherent with the geographical origins of E. urophylla genotypes. The second approach uses a multiplicative model to partition the SCA into three multiplicative terms explaining 95% of the interactio

Structure of the specific combining ability between two species of Eucalyptus. I. RAPD data

International audienceWithin the context of the reciprocal recurrent selection scheme developed in 1989 by CIRAD-Fore t on Eucalyptus, RAPD essays were performed to assess the genetic diversity in the two species E. urophylla and E. grandis. The molecular markers were split into two parts: the speciÞc markers (present with di¤erent fre- quencies in the two species) and the common markers (present with similar frequencies in the two species). The study analyses the structure of genetic diversity within and between the two species of Eucalyptus. Dif- ferent genetic distances are worked out for use in pre- diction equations of the individual tree trunk volume of hybrids at 38 months. Each distance is expressed as the sum of the general genetic distance and the speciÞc genetic distance. The general genetic distance based on the double presence plus the double absence of bands seems to be an interesting co-variate to use in a factor regression model. Through this model the distance calculated between species explains the general com- bining ability (GCA) and the speciÞc combining ability (SCA) of the phenotypic character with a global coe¦c- ient of determination of 81.6

Computation of Scanning Tunneling Microscope Images of Nanometer-Sized Objects Physisorbed on Metal Surfaces

This communication deals with the application of a transfer-matrix strategy for the quantitative evaluation of the tunnel current in a scanning tunneling microscope (STM). The image given by a simple atomic-size object deposited on a metal surface is specifically examined in both modes of STM operation namely the constant-height and the constant-current modes. The two-dimensional corrugation induced at low temperature by Xe atoms physisorbed on an otherwise clean, unreconstructed Ni (110) surface is studied in detail. It is shown that the simple consideration of the elastic scattering of electrons by the three-dimensional potential barrier between the tip and the metal substrates provides a quantitative description of the images produced by the instrument: (1) the Xe atom appears as a conic protrusion, approximately 7 A wide, with a corrugation 1.3 A high; (2) in Xe clusters, each adjoining atom is resolved, with a shape in full agreement with experiment. In order to obtain correct quantitative results, image-charge corrections to the potential cannot be neglected

Gene flow estimation with microsatellites in a Malagasy seed orchard of Eucalyptus grandis

International audienceEucalyptus grandis has a mixed-mating repro- ductive system. Malagasy Eucalyptus seed orchards were established 15 years ago with two aims both based on panmixia: open-pollinated seed production and genetic improvement. The panmixia hypothesis has never been confirmed in the seed orchard. From a seedling seed- orchard stand comprising 349 trees and using data obtained with six selected microsatellite markers, pater- nity analysis was performed for 724 offspring collected on 30 adult trees. Paternity assignment, based on exclu- sion procedures and likelihood-ratio method, was achieved with high accuracy; the exclusion probability value was 0.997. The outcrossing rate was very high (96.7%). More than 50% of potential male trees (199 out of 349) in the seed orchard contributed to pollination for 440 offspring of 30 progenies (8.6% of the basic population). The pollination rate from outside the seed orchard was high (39.2%), but might be due to the small size of this seed orchard. This study showed that "panmixia-like pollination" can be assume

Affine convex body semigroups

In this paper we present a new kind of semigroups called convex body semigroups which are generated by convex bodies of R^k. They generalize to arbitrary dimension the concept of proportionally modular numerical semigroup of [7]. Several properties of these semigroups are proven. Affine convex body semigroups obtained from circles and polygons of R^2 are characterized. The algorithms for computing minimal system of generators of these semigroups are given. We provide the implementation of some of them