Theory of surface ion neutralization

Theory of surface ion neutralizatio

The structure of di-valent and tri-valent metals

Pseudopotential and second order perturbation theory applied to divalent and trivalent metal structure

The Structure of Barium in the hcp Phase Under High Pressure

Recent experimental results on two hcp phases of barium under high pressure show interesting variation of the lattice parameters. They are here interpreted in terms of electronic structure calculation by using the LMTO method and generalized pseudopotential theory (GPT) with a NFE-TBB approach. In phase II the dramatic drop in c/a is an instability analogous to that in the group II metals but with the transfer of s to d electrons playing a crucial role in Ba. Meanwhile in phase V, the instability decrease a lot due to the core repulsion at very high pressure. PACS numbers: 62.50+p, 61.66Bi, 71.15.Ap, 71.15Hx, 71.15LaComment: 29 pages, 8 figure

Why do gallium clusters have a higher melting point than the bulk?

Density functional molecular dynamical simulations have been performed on Ga$_{17}$ and Ga$_{13}$ clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Breaux {\em et al.}, Phys. Rev. Lett. {\bf 91}, 215508 (2003)]. The specific-heat curve, calculated with the multiple-histogram technique, shows the melting temperature to be well above the bulk melting point of 303 K, viz. around 650 K and 1400 K for Ga$_{17}$ and Ga$_{13}$, respectively. The higher-than-bulk melting temperatures are attributed mainly to the covalent bonding in these clusters, in contrast with the covalent-metallic bonding in the bulk.Comment: 4 pages, including 6 figures. accepted for publication in Phys. Rev. Let

Electronic Structure of Metals, Chapter I

Electronic band structures of metals and semiconductor

Study of a pair of coupled continuum equations modeling surface growth

In this communication we introduce a pair of coupled continuum equations to model overlayer growth with evaporation-accretion due to thermal or mechanical agitations of the substrate. We gain insight into the dynamics of growth via one-loop perturbative techniques. This allows us to analyze our numerical data. We conclude that there is a crossover behaviour from a roughening regime to a very long-time, large length scale smoothening regime.Comment: 21 pages, 13 figures. Submitted to J. Phys.: Condens. Matte

Derivation of Source-Free Maxwell and Gravitational Radiation Equations by Group Theoretical Methods

We derive source-free Maxwell-like equations in flat spacetime for any helicity "j" by comparing the transformation properties of the 2(2j+1) states that carry the manifestly covariant representations of the inhomogeneous Lorentz group with the transformation properties of the two helicity "j" states that carry the irreducible representations of this group. The set of constraints so derived involves a pair of curl equations and a pair of divergence equations. These reduce to the free-field Maxwell equations for j=1 and the analogous equations coupling the gravito-electric and the gravito-magnetic fields for j=2.Comment: 15 pages, no figures, to appear in Int. J. Mod. Phys.

Echolocation by Quasiparticles

It is shown that the local density of states (LDOS), measured in an Scanning Tunneling Microscopy (STM) experiment, at a single tip position contains oscillations as a function of Energy, due to quasiparticle interference, which is related to the positions of nearby scatterers. We propose a method of STM data analysis based on this idea, which can be used to locate the scatterers. In the case of a superconductor, the method can potentially distinguish the nature of the scattering by a particular impurity.Comment: 4+ page

Electronic structure of an electron on the gyroid surface, a helical labyrinth

Previously reported formulation for electrons on curved periodic surfaces is used to analyze the band structure of an electron bound on the gyroid surface (the only triply-periodic minimal surface that has screw axes). We find that an effect of the helical structure appears as the bands multiply sticking together on the Brillouin zone boundaries. We elaborate how the band sticking is lifted when the helical and inversion symmetries of the structure are degraded. We find from this that the symmetries give rise to prominent peaks in the density of states.Comment: RevTeX, 4 pages, 6 figure

Local Phonon Density of States in an Elastic Substrate

The local, eigenfunction-weighted acoustic phonon density of states (DOS) tensor is calculated for a model substrate consisting of a semi-infinite isotropic elastic continuum with a stress-free surface. On the surface, the local DOS is proportional to the square of the frequency, as for the three-dimensional Debye model, but with a constant of proportionality that is considerably enhanced compared to the Debye value, a consequence of the Rayleigh surface modes. The local DOS tensor at the surface is also anisotropic, as expected. Inside the substrate the local DOS is both spatially anisotropic and non-quadratic in frequency. However, at large depths, the local DOS approaches the isotropic Debye value. The results are applied to a Si substrate.Comment: 7 pages, 2 figures, RevTe