By Axel Voigt
ISBN-10: 3764372087
ISBN-13: 9783764372088
ISBN-10: 3764373431
ISBN-13: 9783764373436
Epitaxy is a truly energetic zone of theoretical study on account that a number of years. it really is experimentally well-explored and technologically proper for skinny movie development. lately robust numerical thoughts together with a deep knowing of the actual and chemical phenomena in the course of the progress method supply the prospect to hyperlink atomistic results on the floor to the macroscopic morphology of the movie. The target of this booklet is to summarize fresh advancements during this box, with emphasis on multiscale methods and numerical tools. It covers atomistic, step-flow, and continuum versions and gives a compact review of those methods. It additionally serves as an creation into this hugely lively interdisciplinary box of analysis for utilized mathematicians, theoretical physicists and computational fabrics scientists.
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Additional resources for Multiscale Modeling in Epitaxial Growth (International Series of Numerical Mathematics)
Example text
Michely, Stacking-fault nucleation on Ir(111), Phys. Rev. Lett. 91 (2003), 056103. [7] J. W. K. Nørskov, Island shapes in homoepitaxial growth of Pt(111), Surf. Sci. 359 (1996), 37. [8] H. J´ onsson, Theoretical studies of atomic-scale processes relevant to crystal growth, Ann. Rev. Phys. Chem. 51 (2000), 623. 28 K. Albe and M. L. Kellogg, Field-ion microscope studies of single-atom surface-diffusion and cluster nucleation on metal-surfaces, Surf. Sci. Rep. 21 (1994), 1. [10] K. Kyuno, A. G¨ olzh¨ auser, and G.
H. Weinberg, Theoretical foundations of dynamic Monte Carlo simulations. J. Chem. Phys. 95 (1991) 1090–1096. [13] G. Valente, C. Cavallotti, M. Masi, S. Carra, Reduced order model for the CVD of epitaxial silicon from silane and chlorosilanes. J. Crystal Growth 230 (2001) 247–257. [14] C. Cavallotti, V. Gupta, C. F. Jensen, Dissolution reaction of Cu-I(hfac)L compounds relevant to the chemical vapor deposition of copper. Phys. Chem. Chem. Phys. 5 (2003) 2818–2817. A. G. Seebauer, Adsorption of TiCl4 , SiH-4, and Hcl on Si(100) – Application to TiSi-2 chemical vapor deposition and Si etching.
3D Kinetic Monte Carlo model We chose to investigate the morphology evolution of the thin solid films with 3dimensional kinetic Monte Carlo, that has the advantage over other mesoscale models to require as inputs kinetic constants or diffusion parameters that can be directly calculated by means of quantum chemistry. Our implementation of KMC follows the theory outlined by Weinberg [12], with direct tracking of real time 32 C. Cavallotti, D. Moscatelli and A. Veneroni and a rejection free choice of the random transition.
Multiscale Modeling in Epitaxial Growth (International Series of Numerical Mathematics) by Axel Voigt
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