Irreversible nucleation in molecular beam epitaxy: From theory to experiments

Recently, the nucleation rate on top of a terrace during the irreversible growth of a crystal surface by MBE has been determined exactly. In this paper we go beyond the standard model usually employed to study the nucleation process, and we analyze the qualitative and quantitative consequences of two important additional physical ingredients: the nonuniformity of the Ehrlich-Schwoebel barrier at the step-edge, because of the existence of kinks, and the steering effects, due to the interaction between the atoms of the flux and the substrate. We apply our results to typical experiments of second layer nucleation.Comment: 11 pages. Table I corrected and one appendix added. To be published in Phys. Rev. B (scheduled issue: 15 February 2003

Spatio-temporal distribution of nucleation events during crystal growth

We consider irreversible second-layer nucleation that occurs when two adatoms on a terrace meet. We solve the problem analytically in one dimension for zero and infinite step-edge barriers, and numerically for any value of the barriers in one and two dimensions. For large barriers, the spatial distribution of nucleation events strongly differs from $\rho^2$, where $\rho$ is the stationary adatom density in the presence of a constant flux. The probability $Q(t)$ that nucleation occurs at time $t$ after the deposition of the second adatom, decays for short time as a power law [$Q(t)\sim t^{-1/2}$] in $d=1$ and logarithmically [$Q(t)\sim 1/\ln(t/t_0)$] in $d=2$; for long time it decays exponentially. Theories of the nucleation rate $\omega$ based on the assumption that it is proportional to $\rho^2$ are shown to overestimate $\omega$ by a factor proportional to the number of times an adatom diffusing on the terrace visits an already visited lattice site.Comment: 4 pages, 3 figures; accepted for publication on PR

Island nucleation in the presence of step edge barriers: Theory and applications

We develop a theory of nucleation on top of two-dimensional islands bordered by steps with an additional energy barrier $\Delta E_S$ for descending atoms. The theory is based on the concept of the residence time of an adatom on the island,and yields an expression for the nucleation rate which becomes exact in the limit of strong step edge barriers. This expression differs qualitatively and quantitatively from that obtained using the conventional rate equation approach to nucleation [J. Tersoff et al., Phys. Rev. Lett.72, 266 (1994)]. We argue that rate equation theory fails because nucleation is dominated by the rare instances when two atoms are present on the island simultaneously. The theory is applied to two distinct problems: The onset of second layer nucleation in submonolayer growth, and the distribution of the sizes of top terraces of multilayer mounds under conditions of strong step edge barriers. Application to homoepitaxial growth on Pt(111) yields the estimate $\Delta E_S \geq 0.33$ eV for the additional energy barrier at CO-decorated steps.Comment: 13 pages, 3 figure

Defect-induced perturbations of atomic monolayers on solid surfaces

We study long-range morphological changes in atomic monolayers on solid substrates induced by different types of defects; e.g., by monoatomic steps in the surface, or by the tip of an atomic force microscope (AFM), placed at some distance above the substrate. Representing the monolayer in terms of a suitably extended Frenkel-Kontorova-type model, we calculate the defect-induced density profiles for several possible geometries. In case of an AFM tip, we also determine the extra force exerted on the tip due to the tip-induced de-homogenization of the monolayer.Comment: 4 pages, 2 figure

Simulations of energetic beam deposition: from picoseconds to seconds

We present a new method for simulating crystal growth by energetic beam deposition. The method combines a Kinetic Monte-Carlo simulation for the thermal surface diffusion with a small scale molecular dynamics simulation of every single deposition event. We have implemented the method using the effective medium theory as a model potential for the atomic interactions, and present simulations for Ag/Ag(111) and Pt/Pt(111) for incoming energies up to 35 eV. The method is capable of following the growth of several monolayers at realistic growth rates of 1 monolayer per second, correctly accounting for both energy-induced atomic mobility and thermal surface diffusion. We find that the energy influences island and step densities and can induce layer-by-layer growth. We find an optimal energy for layer-by-layer growth (25 eV for Ag), which correlates with where the net impact-induced downward interlayer transport is at a maximum. A high step density is needed for energy induced layer-by-layer growth, hence the effect dies away at increased temperatures, where thermal surface diffusion reduces the step density. As part of the development of the method, we present molecular dynamics simulations of single atom-surface collisions on flat parts of the surface and near straight steps, we identify microscopic mechanisms by which the energy influences the growth, and we discuss the nature of the energy-induced atomic mobility

Adaptive Lévy processes and area-restricted search in human foraging

A considerable amount of research has claimed that animals’ foraging behaviors display movement lengths with power-law distributed tails, characteristic of Lévy flights and Lévy walks. Though these claims have recently come into question, the proposal that many animals forage using Lévy processes nonetheless remains. A Lévy process does not consider when or where resources are encountered, and samples movement lengths independently of past experience. However, Lévy processes too have come into question based on the observation that in patchy resource environments resource-sensitive foraging strategies, like area-restricted search, perform better than Lévy flights yet can still generate heavy-tailed distributions of movement lengths. To investigate these questions further, we tracked humans as they searched for hidden resources in an open-field virtual environment, with either patchy or dispersed resource distributions. Supporting previous research, for both conditions logarithmic binning methods were consistent with Lévy flights and rank-frequency methods–comparing alternative distributions using maximum likelihood methods–showed the strongest support for bounded power-law distributions (truncated Lévy flights). However, goodness-of-fit tests found that even bounded power-law distributions only accurately characterized movement behavior for 4 (out of 32) participants. Moreover, paths in the patchy environment (but not the dispersed environment) showed a transition to intensive search following resource encounters, characteristic of area-restricted search. Transferring paths between environments revealed that paths generated in the patchy environment were adapted to that environment. Our results suggest that though power-law distributions do not accurately reflect human search, Lévy processes may still describe movement in dispersed environments, but not in patchy environments–where search was area-restricted. Furthermore, our results indicate that search strategies cannot be inferred without knowing how organisms respond to resources–as both patched and dispersed conditions led to similar Lévy-like movement distributions

Linear theory of unstable growth on rough surfaces

Unstable homoepitaxy on rough substrates is treated within a linear continuum theory. The time dependence of the surface width $W(t)$ is governed by three length scales: The characteristic scale $l_0$ of the substrate roughness, the terrace size $l_D$ and the Ehrlich-Schwoebel length $l_{ES}$. If $l_{ES} \ll l_D$ (weak step edge barriers) and $l_0 \ll l_m \sim l_D \sqrt{l_D/l_{ES}}$, then $W(t)$ displays a minimum at a coverage $\theta_{\rm min} \sim (l_D/l_{ES})^2$, where the initial surface width is reduced by a factor $l_0/l_m$. The r\^{o}le of deposition and diffusion noise is analyzed. The results are applied to recent experiments on the growth of InAs buffer layers [M.F. Gyure {\em et al.}, Phys. Rev. Lett. {\bf 81}, 4931 (1998)]. The overall features of the observed roughness evolution are captured by the linear theory, but the detailed time dependence shows distinct deviations which suggest a significant influence of nonlinearities

The process of irreversible nucleation in multilayer growth. I. Failure of the mean-field approach

The formation of stable dimers on top of terraces during epitaxial growth is investigated in detail. In this paper we focus on mean-field theory, the standard approach to study nucleation. Such theory is shown to be unsuitable for the present problem, because it is equivalent to considering adatoms as independent diffusing particles. This leads to an overestimate of the correct nucleation rate by a factor N, which has a direct physical meaning: in average, a visited lattice site is visited N times by a diffusing adatom. The dependence of N on the size of the terrace and on the strength of step-edge barriers is derived from well known results for random walks. The spatial distribution of nucleation events is shown to be different from the mean-field prediction, for the same physical reason. In the following paper we develop an exact treatment of the problem.Comment: 19 pages, 3 figures. To appear in Phys. Rev.

Comparison of potential growth rates of Ceratium hirundinella with observed population density changes

Ceratium hirundinella cells in Lake Constance divided during the second half of the night. Growth rates are calculated from the fraction of cells undergoing cell division. Potential growth rates are compared with observed changes in population density. The discrepancy between both is discussed as a possible function of fungal parasitism