Author:
Battaile C. C.,Srolovitz D. J.,Butler J. E.
Abstract
The incorporation of vacancies, H atoms, and sp2 bond defects into single-crystal homoepitaxial (100) (2 × 1)–and (111)-oriented chemical-vapor-deposited diamond was simulated by atomic-scale kinetic Monte Carlo. Simulations were performed for substrate temperatures from 600 to 1200 °C with 0.4% CH4 in the feed gas, and for 0.4–7% CH4 feeds with a substrate temperature of 800 °C. The concentrations of incorporated H atoms increased with increasing substrate temperature and feed gas composition, and sp2 bond trapping increased with increasing feed gas composition. Vacancy concentrations were low under all conditions. The ratio of growth rate to H atom concentration was highest around 800–900°C, and the growth rate to sp2 ratio was maximum around 1% CH4, suggesting that these conditions are ideal for economical diamond growth under simulated conditions.
Publisher
Springer Science and Business Media LLC
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
Cited by
10 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献