128 research outputs found
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Microscopic Model of Heteroepitaxy of GaAs on Si(100)
A new microscopic model of heteroepitaxial growth is introduced using GaAs on Si(100) as a prototype. This model takes into account specific features of surface topology, predicts that in the prototype system conventional two-dimensional epitaxy should be inhibited, and provides a fundamental explanation for three-dimensional nature of the initial stages of growth. The ingredients of the model, which are supported by total-energy calculations, include new structural geometries for each state of growth and the chemical and rehybridization reactions linking these stages.Engineering and Applied Science
Mesoscopic junctions, random scattering, and strange repellers
Ballistic transport through a two-dimensional cross junction is chaotic. The classical transmissivity, from which total transmission coefficients are obtained, exhibits self-similar regions of high transparency about a hierarchy of injection angles, αN. These geometrical channels dominate the phase space of possible exits from the junction. Long dwell times within the junction, a manifestation of irregular scattering, strongly enhance the role of random processes in real devices
Stability of periodic domain structures in a two-dimensional dipolar model
We investigate the energetic ground states of a model two-phase system with
1/r^3 dipolar interactions in two dimensions. The model exhibits spontaneous
formation of two kinds of periodic domain structure. A striped domain structure
is stable near half filling, but as the area fraction is changed, a transition
to a hexagonal lattice of almost-circular droplets occurs. The stability of the
equilibrium striped domain structure against distortions of the boundary is
demonstrated, and the importance of hexagonal distortions of the droplets is
quantified. The relevance of the theory for physical surface systems with
elastic, electrostatic, or magnetostatic 1/r^3 interactions is discussed.Comment: Revtex (preprint style, 19 pages) + 4 postscript figures. A version
in two-column article style with embedded figures is available at
http://electron.rutgers.edu/~dhv/preprints/index.html#ng_do
Step Bunching with Alternation of Structural Parameters
By taking account of the alternation of structural parameters, we study
bunching of impermeable steps induced by drift of adatoms on a vicinal face of
Si(001). With the alternation of diffusion coefficient, the step bunching
occurs irrespective of the direction of the drift if the step distance is
large. Like the bunching of permeable steps, the type of large terraces is
determined by the drift direction. With step-down drift, step bunches grows
faster than those with step-up drift. The ratio of the growth rates is larger
than the ratio of the diffusion coefficients. Evaporation of adatoms, which
does not cause the step bunching, decreases the difference. If only the
alternation of kinetic coefficient is taken into account, the step bunching
occurs with step-down drift. In an early stage, the initial fluctuation of the
step distance determines the type of large terraces, but in a late stage, the
type of large terraces is opposite to the case of alternating diffusion
coefficient.Comment: 8pages, 16 figure
Self-organization of (001) cubic crystal surfaces
Self-organization on crystal surface is studied as a two dimensional spinodal
decomposition in presence of a surface stress. The elastic Green function is
calculated for a cubic crystal surface taking into account the crystal
anisotropy. Numerical calculations show that the phase separation is driven by
the interplay between domain boundary energy and long range elastic
interactions. At late stage of the phase separation process, a steady state
appears with different nanometric patterns according to the surface coverage
and the crystal elastic constants
Electronic Structure of Dangling Bonds in Amorphous Silicon Studied via a Density-Matrix Functional Method
A structural model of hydrogenated amorphous silicon containing an isolated
dangling bond is used to investigate the effects of electron interactions on
the electronic level splittings, localization of charge and spin, and
fluctuations in charge and spin. These properties are calculated with a
recently developed density-matrix correlation-energy functional applied to a
generalized Anderson Hamiltonian, consisting of tight-binding one-electron
terms parametrizing hydrogenated amorphous silicon plus a local interaction
term. The energy level splittings approach an asymptotic value for large values
of the electron-interaction parameter U, and for physically relevant values of
U are in the range 0.3-0.5 eV. The electron spin is highly localized on the
central orbital of the dangling bond while the charge is spread over a larger
region surrounding the dangling bond site. These results are consistent with
known experimental data and previous density-functional calculations. The spin
fluctuations are quite different from those obtained with unrestricted
Hartree-Fock theory.Comment: 6 pages, 6 figures, 1 tabl
Structure and Stability of Si(114)-(2x1)
We describe a recently discovered stable planar surface of silicon, Si(114).
This high-index surface, oriented 19.5 degrees away from (001) toward (111),
undergoes a 2x1 reconstruction. We propose a complete model for the
reconstructed surface based on scanning tunneling microscopy images and
first-principles total-energy calculations. The structure and stability of
Si(114)-(2x1) arises from a balance between surface dangling bond reduction and
surface stress relief, and provides a key to understanding the morphology of a
family of surfaces oriented between (001) and (114).Comment: REVTeX, 4 pages + 3 figures. A preprint with high-resolution figures
is available at http://cst-www.nrl.navy.mil/papers/si114.ps . To be published
in Phys. Rev. Let
Structure of self-organized Fe clusters grown on Au(111) analyzed by Grazing Incidence X-Ray Diffraction
We report a detailed investigation of the first stages of the growth of
self-organized Fe clusters on the reconstructed Au(111) surface by grazing
incidence X-ray diffraction. Below one monolayer coverage, the Fe clusters are
in "local epitaxy" whereas the subsequent layers adopt first a strained fcc
lattice and then a partly relaxed bcc(110) phase in a Kurdjumov-Sachs epitaxial
relationship. The structural evolution is discussed in relation with the
magnetic properties of the Fe clusters.Comment: 7 pages, 6 figures, submitted to Physical Review B September 200
Semiconductor Surface Studies
Contains research summary and reports on two research projects.Joint Services Electronics Program (Contract DAAL03-86-K-0002)Joint Services Electronics Program (Contract DAAL03-89-C-0001
Highly site-specific H2 adsorption on vicinal Si(001) surfaces
Experimental and theoretical results for the dissociative adsorption of H_2
on vicinal Si(001) surfaces are presented. Using optical second-harmonic
generation, sticking probabilities at the step sites are found to exceed those
on the terraces by up to six orders of magnitude. Density functional theory
calculations indicate the presence of direct adsorption pathways for
monohydride formation but with a dramatically lowered barrier for step
adsorption due to an efficient rehybridization of dangling orbitals.Comment: 5 pages, 4 figures, submitted to Phys. Rev. Lett. (1998). Other
related publications can be found at
http://www.fhi-berlin.mpg.de/th/paper.htm
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