Related papers: Monte Carlo simulation of GaAs(001) homoepitaxy
The simulation scheme for heterostructural growth of compound semiconductors is presented based on the kinetic Monte Carlo method. The sheme is designed as simple as possible in order to apply it for any heteroepitaxial growth on GaAs(001)…
An attempt is made to simulate the homoepitaxial growth of a Si(111) surface by the kinetic Monte Carlo method in which the standard Solid-on-Solid model and the planar model of the (7x7) surface reconstruction are used in combination. By…
The surface orientation can have profound effects on the atomic-scale processes of crystal growth, and is essential to such technologies as GaN-based light-emitting diodes and high-power electronics. We investigate the dependence of…
A solid-on-solid model is generalized to study the formation of Ge pyramid islands bounded by (105) facets on Si(100) substrates in two dimensions. Each atomic column is not only characterized by the local surface height but also by two…
A growth model and parameters obtained in our previous experimental (scanning tunneling microscopy, KMC) and theoretical (kinetic Monte Carlo simulations, KMC) studies of Ag/Si(111)-(7x7) heteroepitaxy were used to optimise growth…
A quantitative comparison between experimental and Monte Carlo simulation results for the epitaxial growth of Cu/Cu(001) in the submonolayer regime is presented. The simulations take into account a complete set of hopping processes whose…
In this thesis we present a kinetic Monte Carlo model for the description of epitaxial graphene growth. Experimental results suggest a growth mechanism by which clusters of 5 carbon atoms are an intermediate species necessary for nucleation…
Two mechanisms for the breakdown of step flow growth, in the sense of the appearance of steps of opposite sign to the original vicinality, are studied by kinetic Monte Carlo simulations and scaling arguments. The first mechanism is the…
We reexamine the density of two dimensional islands in the submonolayer regime of a homoepitaxially growing surface using the coarse grained Monte Carlo simulation with random sequential updating rather than parallel updating. It turns out…
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…
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…
If a stochastic system during some periods of its evolution can be divided into non-interacting parts, the kinetics of each part can be simulated independently. We show that this can be used in the development of efficient Monte Carlo…
We present a unified model of compound semiconductor growth based on kinetic Monte Carlo simulations in tandem with new experimental results that can describe and predict the mechanisms for the formation of various types of nanostructures…
Monte Carlo simulations of an atomistic solid-on-solid model are used to study the effect of lattice misfit on the distribution of two-dimensional islands sizes as a function of coverage $\Theta$ in the submonolayer aggregation regime of…
The initial steps of MBE growth of GaAs on beta 2-reconstructed GaAs(001) are investigated by performing total energy and electronic structure calculations using density functional theory and a repeated slab model of the surface. We study…
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…
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…
Growth of gallium nitride on GaN(0001) surface is modeled by Monte Carlo method. Simulated growth is conducted in N-rich conditions, hence it is controlled by Ga atoms surface diffusion. It is shown that dominating four-body interactions of…
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,…
We demonstrate how first-principles calculations using density-functional theory (DFT) can be applied to gain insight into the molecular processes that rule the physics of materials processing. Specifically, we study the molecular beam…