Silicon epitaxial growth on the Si(001)2×1 surface from silane using dynamic Monte Carlo simulations
作者： Koji Satake , David B. Graves
DOI: 10.1063/1.1559151
关键词: Chemistry 、 Epitaxy 、 Deposition (phase transition) 、 Monte Carlo method 、 Silicon 、 Thermodynamics 、 Silane 、 Activation energy 、 Physical chemistry 、 Arrhenius equation 、 Chemical vapor deposition
摘要: Dynamic Monte Carlo (DMC) simulations are carried out on silicon (001)2×1 surface under 100% silane gas chemical vapor deposition condition as a function of temperature (600–800° C) and pressure (6 12 mTorr). The reactant the from gas-phase is assumed to be molecule. rates probabilities reactions determined priori by recent ab initio calculation results in literature. DMC method can reveal not only short-time microscopic mechanism but also predict macroscopic phenomena such deposition. calculated growth rate Arrhenius activation energy depending show good agreement with experimental results. suggest that low regime above 700 °C associated process controlled dissociative adsorption. In contrast, higher below supposed governed hydrogen desorption. periodic change structure si...
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