A study of the electronic properties of liquid alkali metals. A self--consistent approach

We study the electronic properties (density of states, conductivity and thermopower) of some nearly--free--electron systems: the liquid alkali metals and two liquid alloys, Li-Na and Na-K. The study has been performed within the self-consistent second order Renormalized Propagator Perturbation Expansion (RPE) for the self-energy. The input ionic pseudopotentials and static correlation functions are derived from the neutral pseudoatom method and the modified hypernetted chain theory of liquids, respectively. Reasonable agreement with experiment is found for Na, K, Rb and Na-K, whereas for Li and Cs and Li-Na the agreement is less satisfactoryComment: 14 pages, Latex, 1 figure, 1 tabl

Interplay between the ionic and electronic density profiles in liquid metal surfaces

First principles molecular dynamics simulations have been performed for the liquid-vapor interfaces of liquid Li, Mg, Al and Si. We analize the oscillatory ionic and valence electronic density profiles obtained, their wavelengths and the mechanisms behind their relative phase-shift.Comment: Accepted for publication in Journal of Chemical Physic

Injection statistics simulator for dynamic analysis of noise in mesoscopic devices

We present a model for electron injection from thermal reservoirs which is applied to particle simulations of one-dimensional mesoscopic conductors. The statistics of injected carriers is correctly described from nondegenerate to completely degenerate conditions. The model is validated by comparing Monte Carlo simulations with existing analytical results for the case of ballistic conductors. An excellent agreement is found for average and noise characteristics, in particular, the fundamental unities of electrical and thermal conductances are exactly reproduced.Comment: 4 pages, revtex, 4 PS figures, accepted Semicond. Sci. Techno

Probing the geometry and motion of AGN coronae through accretion disc emissivity profiles

To gain a better understanding of the inner disc region that comprises active galactic nuclei it is necessary to understand the pattern in which the disc is illuminated (the emissivity profile) by X-rays emitted from the continuum source above the black hole (corona). The differences in the emissivity profiles produced by various corona geometries are explored via general relativistic ray tracing simulations. Through the analysis of various parameters of the geometries simulated it is found that emissivity profiles produced by point source and extended geometries such as cylindrical slabs and spheroidal coronae placed on the accretion disc are distinguishable. Profiles produced by point source and conical geometries are not significantly different, requiring an analysis of reflection fraction to differentiate the two geometries. Beamed point and beamed conical sources are also simulated in an effort to model jet-like coronae, though the differences here are most evident in the reflection fraction. For a point source we determine an approximation for the measured reflection fraction with the source height and velocity. Simulating spectra from the emissivity profiles produced by the various geometries produce distinguishable differences. Overall spectral differences between the geometries do not exceed 15 per cent in the most extreme cases. It is found that emissivity profiles can be useful in distinguishing point source and extended geometries given high quality spectral data of extreme, bright sources over long exposure times. In combination with reflection fraction, timing, and spectral analysis we may use emissivity profiles to discern the geometry of the X-ray source.Comment: 15 pages, 12 figures. Accepted for publication in MNRA

Excitons in coupled InAs/InP self-assembled quantum wires

Optical transitions in coupled InAs/InP self-assembled quantum wires are studied within the single-band effective mass approximation including effects due to strain. Both vertically and horizontally coupled quantum wires are investigated and the ground state, excited states and the photoluminescence peak energies are calculated. Where possible we compare with available photo-luminescence data from which it was possible to determine the height of the quantum wires. An anti-crossing of the energy of excited states is found for vertically coupled wires signaling a change of symmetry of the exciton wavefunction. This crossing is the signature of two different coupling regimes.Comment: 8 pages, 8 figures. To appear in Physical Review