An efficient algorithm to calculate intrinsic thermoelectric parameters based on Landauer approach

The Landauer approach provides a conceptually simple way to calculate the intrinsic thermoelectric (TE) parameters of materials from the ballistic to the diffusive transport regime. This method relies on the calculation of the number of propagating modes and the scattering rate for each mode. The modes are calculated from the energy dispersion (E(k)) of the materials which require heavy computation and often supply energy relation on sparse momentum (k) grids. Here an efficient method to calculate the distribution of modes (DOM) from a given E(k) relationship is presented. The main features of this algorithm are, (i) its ability to work on sparse dispersion data, and (ii) creation of an energy grid for the DOM that is almost independent of the dispersion data therefore allowing for efficient and fast calculation of TE parameters. The inclusion of scattering effects is also straight forward. The effect of k-grid sparsity on the compute time for DOM and on the sensitivity of the calculated TE results are provided. The algorithm calculates the TE parameters within 5% accuracy when the K-grid sparsity is increased up to 60% for all the dimensions (3D, 2D and 1D). The time taken for the DOM calculation is strongly influenced by the transverse K density (K perpendicular to transport direction) but is almost independent of the transport K density (along the transport direction). The DOM and TE results from the algorithm are bench-marked with, (i) analytical calculations for parabolic bands, and (ii) realistic electronic and phonon results for $Bi_{2}Te_{3}$.Comment: 16 Figures, 3 Tables, submitted to Journal of Computational electronic

Rational solutions of the discrete time Toda lattice and the alternate discrete Painleve II equation

The Yablonskii-Vorob'ev polynomials $y_{n}(t)$, which are defined by a second order bilinear differential-difference equation, provide rational solutions of the Toda lattice. They are also polynomial tau-functions for the rational solutions of the second Painlev\'{e} equation ($P_{II}$). Here we define two-variable polynomials $Y_{n}(t,h)$ on a lattice with spacing $h$, by considering rational solutions of the discrete time Toda lattice as introduced by Suris. These polynomials are shown to have many properties that are analogous to those of the Yablonskii-Vorob'ev polynomials, to which they reduce when $h=0$. They also provide rational solutions for a particular discretisation of $P_{II}$, namely the so called {\it alternate discrete} $P_{II}$, and this connection leads to an expression in terms of the Umemura polynomials for the third Painlev\'{e} equation ($P_{III}$). It is shown that B\"{a}cklund transformation for the alternate discrete Painlev\'{e} equation is a symplectic map, and the shift in time is also symplectic. Finally we present a Lax pair for the alternate discrete $P_{II}$, which recovers Jimbo and Miwa's Lax pair for $P_{II}$ in the continuum limit $h\to 0$.Comment: 23 pages, IOP style. Title changed, and connection with Umemura polynomials adde

Axonal Odorant Receptors Mediate Axon Targeting

In mammals, odorant receptors not only detect odors but also define the target in the olfactory bulb, where sensory neurons project to give rise to the sensory map. The odorant receptor is expressed at the cilia, where it binds odorants, and at the axon terminal. The mechanism of activation and function of the odorant receptor at the axon terminal is, however, still unknown. Here, we identify phosphatidylethanolamine- binding protein 1 as a putative ligand that activates the odorant receptor at the axon terminal and affects the turning behavior of sensory axons.Genetic ablation of phosphatidylethanolamine-binding protein 1 in mice results in a strongly disturbed olfactory sensory map. Our data suggest that the odorant receptor at the axon terminal of olfactory neurons acts as an axon guidance cue that responds to molecules originating in the olfactory bulb. The dual function of the odorant receptor links specificity of odor perception and axon targeting

Quantum-well states in ultrathin Ag(111) films deposited onto H-passivated Si(111)-(1x1) surfaces

Ag(111) films were deposited at room temperature onto H-passivated Si(111)-(1x1) substrates, and subsequently annealed at 300 C. An abrupt non-reactive Ag/Si interface is formed, and very uniform non-strained Ag(111) films of 6-12 monolayers have been grown. Angle resolved photoemission spectroscopy has been used to study the valence band electronic properties of these films. Well-defined Ag sp quantum-well states (QWS) have been observed at discrete energies between 0.5-2eV below the Fermi level, and their dispersions have been measured along the GammaK, GammaMM'and GammaL symmetry directions. QWS show a parabolic bidimensional dispersion, with in-plane effective mass of 0.38-0.50mo, along the GammaK and GammaMM' directions, whereas no dispersion has been found along the GammaL direction, indicating the low-dimensional electronic character of these states. The binding energy dependence of the QWS as a function of Ag film thickness has been analyzed in the framework of the phase accumulation model. According to this model, a reflectivity of 70% has been estimated for the Ag-sp states at the Ag/H/Si(111)-(1x1) interface.Comment: 6 pages, 6 figures, submitted to Phys. Rev.

Classification of Light-Induced Desorption of Alkali Atoms in Glass Cells Used in Atomic Physics Experiments

We attempt to provide physical interpretations of light-induced desorption phenomena that have recently been observed for alkali atoms on glass surfaces of alkali vapor cells used in atomic physics experiments. We find that the observed desorption phenomena are closely related to recent studies in surface science, and can probably be understood in the context of these results. If classified in terms of the photon-energy dependence, the coverage and the bonding state of the alkali adsorbates, the phenomena fall into two categories: It appears very likely that the neutralization of isolated ionic adsorbates by photo-excited electron transfer from the substrate is the origin of the desorption induced by ultraviolet light in ultrahigh vacuum cells. The desorption observed in low temperature cells, on the other hand, which is resonantly dependent on photon energy in the visible light range, is quite similar to light-induced desorption stimulated by localized electronic excitation on metallic aggregates. More detailed studies of light-induced desorption events from surfaces well characterized with respect to alkali coverage-dependent ionicity and aggregate morphology appear highly desirable for the development of more efficient alkali atom sources suitable to improve a variety of atomic physics experiments.Comment: 6 pages, 1 figure; minor corrections made, published in e-Journal of Surface Science and Nanotechnology at http://www.jstage.jst.go.jp/article/ejssnt/4/0/4_63/_articl

Electronic properties and Fermi surface of Ag(111) films deposited onto H-passivated Si(111)-(1x1) surfaces

Silver films were deposited at room temperature onto H-passivated Si(111) surfaces. Their electronic properties have been analyzed by angle-resolved photoelectron spectroscopy. Submonolayer films were semiconducting and the onset of metallization was found at a Ag coverage of $\sim$0.6 monolayers. Two surface states were observed at $\bar{\Gamma}$-point in the metallic films, with binding energies of 0.1 and 0.35 eV. By measurements of photoelectron angular distribution at the Fermi level in these films, a cross-sectional cut of the Fermi surface was obtained. The Fermi vector determined along different symmetry directions and the photoelectron lifetime of states at the Fermi level are quite close to those expected for Ag single crystal. In spite of this concordance, the Fermi surface reflects a sixfold symmetry rather than the threefold symmetry of Ag single crystal. This behavior was attributed to the fact that these Ag films are composed by two domains rotated 60$^o$.Comment: 9 pages, 8 figures, submitted to Physical Review

Enhanced plasmonic behavior of bimetallic (Ag-Au) multilayered spheres

In this article we study the plasmonic behavior of some stable, highly biocompatible bimetallic metal-dielectric-metal (MDM) and double concentric nanoshell (DCN) structures. By simply switching the material of the inner structure from Au to Ag, the intensity of their surface plasmon resonance could be increased in the optical transparency region of the human tissues up to 20 and 60 percent for the MDM and DCN, respectively, while the biocompatibility is retained. The obtained results indicate that these novel structures could be highly suitable for surface enhanced Raman scattering and photothermal cancer therapy

New view of the occupied band structure of Mo(112)

We present a comprehensive examination of the occupied surface-weighted band structure of Mo(112) along the two high-symmetry directions of the surface Brillouin zone, both from theoretical and experimental perspectives. The band structures are found to be significantly different for the states along the two high-symmetry directions and for the states with even and odd reflection parities with respect to the mirror planes. The present study suggests the existence of a number of surface-weighted bands along both high-symmetry directions. The complexity of the band structure near the Fermi level may impose potential difficulties in experimental determination of the electron-phonon coupling parameters based on the effective mass enhancement distortion (or kink) in the energy-band dispersion, in the vicinity of the Fermi level, for several surface resonance bands of Mo(112)