On-surface and Subsurface Adsorption of Oxygen on Stepped Ag(210) and Ag(410) Surfaces

The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface adsorption results in strong lattice distortion which makes it energetically unfavoured. However subsurface sites are significantly stabilised when a sufficient amount of O adatoms is present on the surface. At high enough O coverage on the Ag(210) surface the mixed on-surface + subsurface O adsorption is energetically favoured with respect to the on-surface only adsorption. Instead, on the Ag(410) surface, at the coverage we have considered (3/8 ML), the existence of stable terrace sites makes the subsurface O incorporation less favourable. These findings are compatible with the results of recent HREEL experiments which have actually motivated this work.Comment: 8 pages, 4 figures and 1 tabl

A Random Multifractal Tilling

We develop a multifractal random tilling that fills the square. The multifractal is formed by an arrangement of rectangular blocks of different sizes, areas and number of neighbors. The overall feature of the tilling is an heterogeneous and anisotropic random self-affine object. The multifractal is constructed by an algorithm that makes successive sections of the square. At each $n$-step there is a random choice of a parameter $\rho_i$ related to the section ratio. For the case of random choice between $\rho_1$ and $\rho_2$ we find analytically the full spectrum of fractal dimensions

Anisotropy and percolation threshold in a multifractal support

Recently a multifractal object, $Q_{mf}$, was proposed to study percolation properties in a multifractal support. The area and the number of neighbors of the blocks of $Q_{mf}$ show a non-trivial behavior. The value of the probability of occupation at the percolation threshold, $p_{c}$, is a function of $\rho$, a parameter of $Q_{mf}$ which is related to its anisotropy. We investigate the relation between $p_{c}$ and the average number of neighbors of the blocks as well as the anisotropy of $Q_{mf}$

Electron-vibration coupling constants in positively charged fullerene

Recent experiments have shown that C60 can be positively field-doped. In that state, fullerene exhibits a higher resistivity and a higher superconducting temperature than the corresponding negatively doped state. A strong intramolecular hole-phonon coupling, connected with the Jahn-Teller effect of the isolated positive ion, is expected to be important for both properties, but the actual coupling strengths are so far unknown. Based on density functional calculations, we determine the linear couplings of the two a_g, six g_g, and eight h_g vibrational modes to the H_u HOMO level of the C60 molecule. The couplings predict a D_5 distortion, and an H_u vibronic ground state for C60^+. They are also used to generate the dimensionless coupling constant which controls the superconductivity and the phonon contribution to the electrical resistivity in the crystalline phase. We find that is 1.4 times larger in positively-charged C60 than in the negatively-doped case. These results are discussed in the context of the available transport data and superconducting temperatures. The role of higher orbital degeneracy in superconductivity is also addressed.Comment: 22 pages - 3 figures. This revision includes few punctuation corrections from proofreadin