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Title: Point Defect Incorporation During Diamond Chemical Vapor Deposition

Abstract

The incorporation of vacancies, H atoms, and sp{sup 2} bond defects into single-crystal homoepitaxial (100)(2x1)- and(111)-oriented CVD diamond was simulated by atomic-scale kinetic Monte Carlo. Simulations were performed for substrate temperatures from 600 C to 1200 C with 0.4% CH{sub 4} in the feed gas, and for 0.4% to 7% CH{sub 4} feeds with a substrate temperature of 800 C. The concentrations of incorporated H atoms increase with increasing substrate temperature and feed gas composition, and sp{sup 2} bond trapping increases with increasing feed gas composition. Vacancy concentrations are low under all conditions. The ratio of growth rate to H atom concentration is highest around 800-900 C, and the growth rate to sp{sup 2} ratio is maximum around 1% CH{sub 4}, suggesting that these conditions are ideal for economical diamond growth under the simulated conditions.

Authors:
; ;
Publication Date:
Research Org.:
Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
9493
Report Number(s):
SAND99-2007J
TRN: AH200124%%387
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article
Journal Name:
Journal of Materials Research
Additional Journal Information:
Other Information: Submitted to Journal of Materials Research; PBD: 2 Aug 1999
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMS; CHEMICAL VAPOR DEPOSITION; DEFECTS; DIAMONDS; KINETICS; POINT DEFECTS; SUBSTRATES; TRAPPING; VACANCIES

Citation Formats

Battaile, C.C., Srolovitz, D.J., and Butler, J.E. Point Defect Incorporation During Diamond Chemical Vapor Deposition. United States: N. p., 1999. Web. doi:10.1557/JMR.1999.0465.
Battaile, C.C., Srolovitz, D.J., & Butler, J.E. Point Defect Incorporation During Diamond Chemical Vapor Deposition. United States. doi:10.1557/JMR.1999.0465.
Battaile, C.C., Srolovitz, D.J., and Butler, J.E. Mon . "Point Defect Incorporation During Diamond Chemical Vapor Deposition". United States. doi:10.1557/JMR.1999.0465. https://www.osti.gov/servlets/purl/9493.
@article{osti_9493,
title = {Point Defect Incorporation During Diamond Chemical Vapor Deposition},
author = {Battaile, C.C. and Srolovitz, D.J. and Butler, J.E.},
abstractNote = {The incorporation of vacancies, H atoms, and sp{sup 2} bond defects into single-crystal homoepitaxial (100)(2x1)- and(111)-oriented CVD diamond was simulated by atomic-scale kinetic Monte Carlo. Simulations were performed for substrate temperatures from 600 C to 1200 C with 0.4% CH{sub 4} in the feed gas, and for 0.4% to 7% CH{sub 4} feeds with a substrate temperature of 800 C. The concentrations of incorporated H atoms increase with increasing substrate temperature and feed gas composition, and sp{sup 2} bond trapping increases with increasing feed gas composition. Vacancy concentrations are low under all conditions. The ratio of growth rate to H atom concentration is highest around 800-900 C, and the growth rate to sp{sup 2} ratio is maximum around 1% CH{sub 4}, suggesting that these conditions are ideal for economical diamond growth under the simulated conditions.},
doi = {10.1557/JMR.1999.0465},
journal = {Journal of Materials Research},
number = ,
volume = ,
place = {United States},
year = {1999},
month = {8}
}