相关论文: Mechanisms of Stranski-Krastanov Growth
An off-lattice, continuous space Kinetic Monte Carlo (KMC) algorithm is discussed and applied in the investigation of strained heteroepitaxial crystal growth. As a starting point, we study a simplifying (1+1)-dimensional situation with…
The thermodynamics of the Stranski-Krastanov mode of epitaxial growth and the effect of the sign of the lattice misfit are discussed. The Stranski-Krastanov mode of growth represents a sequence of layer-by-layer or Frank-van der Merwe…
A numerical method for computation of heteroepitaxial growth in the presence of strain is presented. The model used is based on a solid-on-solid model with a cubic lattice. Elastic effects are incorporated using a ball and spring type…
We investigate strained heteroepitaxial crystal growth in the framework of a simplifying (1+1)-dimensional model by use of off-lattice Kinetic Monte Carlo simulations. Our modified Lennard-Jones system displays the so-called…
The formation of coherently strained three-dimensional islands on top of the wetting layer in Stranski-Krastanov mode of growth is considered in a model in 1+1 dimensions accounting for the anharmonicity and non-convexity of the real…
We introduce an off-lattice model with continuous particle distances and pair-potential interactions which allows for the efficient simulation of strained heteroepitaxial growth by means of kinetic Monte Carlo (KMC) simulations. We discuss…
The Stranski-Krastanov growth kinetics of undislocated (coherent) 3-dimensional islands is studied with a self-consistent mean field rate theory that takes account of elastic interactions between the islands. The latter are presumed to…
We determine the critical layer thickness for the appearance of misfit dislocations as a function of the misfit between the lattice constants of the substrate and the adsorbate from Kinetic Monte Carlo (KMC) simulations of heteroepitaxial…
An efficient method for the simulation of strained heteroepitaxial growth with intermixing using kinetic Monte Carlo is presented. The model used is based on a solid-on-solid bond counting formulation in which elastic effects are…
Detailed KMC-MD (kinetic Monte Carlo-molecular dynamics) simulations of hyperthermal energy (10-100 eV) copper homoepitaxy have revealed a re-entrant layer-by-layer growth mode at low temperatures (50K) and reasonable fluxes (1 ML/s). This…
We study the energetics of island formation in Stranski-Krastanow growth within a parameter-free approach. It is shown that an optimum island size exists for a given coverage and island density if changes in the wetting layer morphology…
To study epitaxial thin-film growth, a new model is introduced and extensive kinetic Monte Carlo simulations performed for a wide range of fluxes and temperatures. Varying the deposition conditions, a rich growth diagram is found. The model…
We introduce an algorithm for treating growth on surfaces which combines important features of continuum methods (such as the level-set method) and Kinetic Monte Carlo (KMC) simulations. We treat the motion of adatoms in continuum theory,…
The shape evolution of two-dimensional islands under electromigration-driven periphery diffusion is studied by kinetic Monte Carlo (KMC) simulations and continuum theory. The energetics of the KMC model is adapted to the Cu(100) surface,…
From a macroscopic point of view phase transitions as surface melting or two dimensional (2D) towards three dimensional (3D) growth mode (Stranski-Krastanov transition) can be described in terms of Gibbs excess quantity duly amended by size…
We study the morphological evolution of strained heteroepitaxial films using kinetic Monte Carlo simulations in two dimensions. A novel Green's function approach, analogous to boundary integral methods, is used to calculate elastic energies…
The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…
This article reviews the basic computational techniques for carrying out multi-scale simulations using statistical methods, with the focus on simulations of epitaxial growth. First, the statistical-physics background behind Monte Carlo…
The formation of coherent three-dimensional islands in highly mismatched epitaxy is discussed in terms of the traditional concept of wetting. It is shown that the wetting layer and the 3D islands represent different phases which cannot be…
We use Monte-Carlo simulations to study island formation in the growth of thin semiconducting films deposited on lattice-mismatched substrates. It is known that islands nucleate with critical nuclei of about one atom and grow two…