Surface Phonons and Other Localized Excitations

The diatomic linear chain of masses coupled by harmonic springs is a textboook model for vibrational normal modes (phonons) in crystals. In addition to propagating acoustic and optic branches, this model is known to support a ``gap mode'' localized at the surface, provided the atom at the surface has light rather than heavy mass. An elementary argument is given which explains this mode and provides values for the frequency and localization length. By reinterpreting this mode in different ways, we obtain the frequency and localization lengths for three other interesting modes: (1) the surface vibrational mode of a light mass impurity at the surface of a monatomic chain; (2) the localized vibrational mode of a stacking fault in a diatomic chain; and (3) the localized vibrational mode of a light mass impurity in a monatomic chain.Comment: 5 pages with 4 embedded postscript figures. This paper will appear in the American Journal of Physic

Transient cavities and the excess chemical potentials of hard-spheroid solutes in dipolar hard sphere solvents

Monte Carlo computer simulations are used to study transient cavities and the solvation of hard-spheroid solutes in dipolar hard sphere solvents. The probability distribution of spheroidal cavities in the solvent is shown to be well described by a Gaussian function, and the variations of fit parameters with cavity elongation and solvent properties are analyzed. The excess chemical potentials of hard-spheroid solutes with aspect ratios $x$ in the range $1/5 \leq x \leq 5$, and with volumes between one and twenty times that of a solvent molecule, are presented. It is shown that for a given molecular volume and solvent dipole moment (or temperature) a spherical solute has the lowest excess chemical potential and hence the highest solubility, while a prolate solute with aspect ratio $x$ should be more soluble than an oblate solute with aspect ratio $1/x$. For a given solute molecule, the excess chemical potential increases with increasing temperature; this same trend is observed in the case of hydrophobic solvation. To help interpret the simulation results, comparison is made with a scaled-particle theory that requires prior knowledge of a solute-solvent interfacial tension and the pure-solvent equation of state, which parameters are obtained from simulation results for spherical solutes. The theory shows excellent agreement with simulation results over the whole range of solute elongations considered.Comment: 10 pages, 10 figure

What has NMR taught us about stripes and inhomogeneity?

The purpose of this brief invited paper is to summarize what we have (not) learned from NMR on stripes and inhomogeneity in La{2-x}Sr{x}CuO{4}. We explain that the reality is far more complicated than generally accepted.Comment: Accepted for publication in the Proceedings of the LT-23 Conference (invited

Mixed population of competing TASEPs with a shared reservoir of particles

We introduce a mean-field theoretical framework to describe multiple totally asymmetric simple exclusion processes (TASEPs) with different lattice lengths, entry and exit rates, competing for a finite reservoir of particles. We present relations for the partitioning of particles between the reservoir and the lattices: these relations allow us to show that competition for particles can have non-trivial effects on the phase behavior of individual lattices. For a system with non-identical lattices, we find that when a subset of lattices undergoes a phase transition from low to high density, the entire set of lattice currents becomes independent of total particle number. We generalize our approach to systems with a continuous distribution of lattice parameters, for which we demonstrate that measurements of the current carried by a single lattice type can be used to extract the entire distribution of lattice parameters. Our approach applies to populations of TASEPs with any distribution of lattice parameters, and could easily be extended beyond the mean-field case.Comment: 12 pages, 8 figure

Quantum Electrical Dipole in Triangular Systems: a Model for Spontaneous Polarity in Metal Clusters

Triangular symmetric molecules with mirror symmetry perpendicular to the 3-fold axis are forbidden to have a fixed electrical dipole moment. However, if the ground state is orbitally degenerate and lacks inversion symmetry, then a ``quantum'' dipole moment does exist. The system of 3 electrons in D_3h symmetry is our example. This system is realized in triatomic molecules like Na_3. Unlike the fixed dipole of a molecule like water, the quantum moment does not point in a fixed direction, but lies in the plane of the molecule and takes quantized values +/- mu_0 along any direction of measurement in the plane. An electric field F in the plane leads to a linear Stark splitting +/- mu_0 F}. We introduce a toy model to study the effect of Jahn-Teller distortions on the quantum dipole moment. We find that the quantum dipole property survives when the dynamic Jahn-Teller effect is included, if the distortion of the molecule is small. Linear Stark splittings are suppressed in low fields by molecular rotation, just as the linear Stark shift of water is suppressed, but will be revealed in moderately large applied fields and low temperatures. Coulomb correlations also give a partial suppression.Comment: 10 pages with 7 figures included; thoroughly revised with a new coauthor; final minor change

Octahedral Tilt Instability of ReO_3-type Crystals

The octahedron tilt transitions of ABX_3 perovskite-structure materials lead to an anti-polar (or antiferroelectric) arrangement of dipoles, with the low temperature structure having six sublattices polarized along various crystallographic directions. It is shown that an important mechanism driving the transition is long range dipole-dipole forces acting on both displacive and induced parts of the anion dipole. This acts in concert with short range repulsion, allowing a gain of electrostatic (Madelung) energy, both dipole-dipole and charge-charge, because the unit cell shrinks when the hard ionic spheres of the rigid octahedron tilt out of linear alignment.Comment: 4 page with 3 figures included; new version updates references and clarifies the argument

Temperature dependence of the resistance of metallic nanowires (diameter ≥\geq 15 nm): Applicability of Bloch-Gr\"{u}neisen theorem

We have measured the resistances (and resistivities) of Ag and Cu nanowires of diameters ranging from 15nm to 200nm in the temperature range 4.2K-300K with the specific aim to assess the applicability of the Bloch-Gr\"{u}neisen formula for electron phonon resistivity in these nanowires. The wires were grown within polymeric templates by electrodeposition. We find that in all the samples the resistance reaches a residual value at T=4.2K and the temperature dependence of resistance can be fitted to the Bloch-Gr\"{u}neisen formula in the entire temperature range with a well defined transport Debye temperature ($\Theta_{R}$). The value of Debye temperature obtained from the fits lie within 8% of the bulk value for Ag wires of diameter 15nm while for Cu nanowires of the same diameter the Debye temperature is significantly lesser than the bulk value. The electron-phonon coupling constants (measured by $\alpha_{el-ph}$ or $\alpha_{R}$) in the nanowires were found to have the same value as that of the bulk. The resistivities of the wires were seen to increase as the wire diameter was decreased. This increase in the resistivity of the wires may be attributed to surface scattering of conduction electrons. The specularity p was estimated to be about 0.5. The observed results allow us to obtain the resistivities exactly from the resistance and gives us a method of obtaining the exact numbers of wires within the measured array (grown within the template).Comment: 9 pages, 10 figure