Inversion of Randomly Corrugated Surfaces Structure from Atom Scattering Data

The Sudden Approximation is applied to invert structural data on randomly corrugated surfaces from inert atom scattering intensities. Several expressions relating experimental observables to surface statistical features are derived. The results suggest that atom (and in particular He) scattering can be used profitably to study hitherto unexplored forms of complex surface disorder.Comment: 10 pages, no figures. Related papers available at http://neon.cchem.berkeley.edu/~dan

He Scattering from Random Adsorbates, Disordered Compact Islands and Fractal Submonolayers: Intensity Manifestations of Surface Disorder

A theoretical study is made on He scattering from three fundamental classes of disordered ad-layers: (a) Translationally random adsorbates, (b) disordered compact islands and (c) fractal submonolayers. The implications of the results to experimental studies of He scattering from disordered surfaces are discussed, and a combined experimental-theoretical study is made for Ag submonolayers on Pt(111). Some of the main theoretical findings are: (1) Structural aspects of the calculated intensities from translationally random clusters were found to be strongly correlated with those of individual clusters. (2) Low intensity Bragg interference peaks appear even for scattering from very small ad-islands, and contain information on the ad-island local electron structure. (3) For fractal islands, just as for islands with a different structure, the off-specular intensity depends on the parameters of the He/Ag interaction, and does not follow a universal power law as previously proposed in the literature. In the experimental-theoretical study of Ag on Pt(111), we use first experimental He scattering data from low-coverage (single adsorbate) systems to determine an empirical He/Ag-Pt potential of good quality. Then, we carry out He scattering calculations for high coverage and compare with experiments. The conclusions are that the actual experimental phase corresponds to small compact Ag clusters of narrow size distribution, translationally disordered on the surface.Comment: 36 double-spaced pages, 10 figures; accepted by J. Chem. Phys., scheduled to appear March 8. More info available at http://www.fh.huji.ac.il/~dani

Fractal Analysis of Protein Potential Energy Landscapes

The fractal properties of the total potential energy V as a function of time t are studied for a number of systems, including realistic models of proteins (PPT, BPTI and myoglobin). The fractal dimension of V(t), characterized by the exponent \gamma, is almost independent of temperature and increases with time, more slowly the larger the protein. Perhaps the most striking observation of this study is the apparent universality of the fractal dimension, which depends only weakly on the type of molecular system. We explain this behavior by assuming that fractality is caused by a self-generated dynamical noise, a consequence of intermode coupling due to anharmonicity. Global topological features of the potential energy landscape are found to have little effect on the observed fractal behavior.Comment: 17 pages, single spaced, including 12 figure

Elastic Scattering by Deterministic and Random Fractals: Self-Affinity of the Diffraction Spectrum

The diffraction spectrum of coherent waves scattered from fractal supports is calculated exactly. The fractals considered are of the class generated iteratively by successive dilations and translations, and include generalizations of the Cantor set and Sierpinski carpet as special cases. Also randomized versions of these fractals are treated. The general result is that the diffraction intensities obey a strict recursion relation, and become self-affine in the limit of large iteration number, with a self-affinity exponent related directly to the fractal dimension of the scattering object. Applications include neutron scattering, x-rays, optical diffraction, magnetic resonance imaging, electron diffraction, and He scattering, which all display the same universal scaling.Comment: 20 pages, 11 figures. Phys. Rev. E, in press. More info available at http://www.fh.huji.ac.il/~dani

Effects of Small Island Mobility on Growth in Molecular Beam Epitaxy

The effects of mobility of small islands on island growth in molecular beam epitaxy are studied. It is shown that small island mobility affects both the scaling and morphology of islands during growth. Three microscopic models are considered, in which the critical island sizes are $i^*=1,2$ and 3 (such that islands of size $s \le i^*$ are mobile while islands of size $s \ge i^{\ast}+1$ are immobile). As i^* increases, islands become more compact, while the exponent $\gamma$ which relates the island density to deposition rate increases. The morphological changes are quantified by using fractal analysis. It is shown that the fractal dimensions are rather insensitive to changes in i^*. However, the prefactors provide a quantitative measure of the changing morphologies.Comment: 25 pages of text, RevTeX, additional 8 figures in 10 PS files. Replaced version include some minor changes, notation, etc. To be published in: Phys. Rev B, Vol. 55 (1997