Diamond CVD growth mechanisms and reaction rates from first-principles

I. I. Oleinik; D. G. Pettifor; A. P. Sutton; C. C. Battaile; D. J. Srolovitz; J. E. Butler; D. S. Dandy; S. J. Harris; M. P. D'Evelyn

doi:10.1557/PROC-616-123

Author(s)

I. I. Oleinik
D. G. Pettifor
A. P. Sutton
C. C. Battaile
J. E. Butler
D. S. Dandy
S. J. Harris
M. P. D'Evelyn

Detail(s)

Original language	English
Pages (from-to)	123-128
Journal / Publication	Materials Research Society Symposium - Proceedings
Volume	616
Publication status	Published - 2000
Externally published	Yes

Link(s)

DOI	DOI https://doi.org/10.1557/PROC-616-123 Final Published version
	Check@CityULib
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-0034448082&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(67fbd690-456e-40c9-aa68-209863026c99).html

Abstract

CVD diamond is an enabling material for diverse applications. In recent years, multiscale modelling of CVD growth in conjunction with experimental studies of the deposition processes has made a substantial progress towards our understanding of the fundamental growth chemistry and material quality. Macroscopic gas phase simulations of the CVD reactor, the mesoscale kinetic Monte-Carlo (KMC) modelling of the crystal growth and nanoscale modelling of the surface chemistry are three main legs in the multiscale hierarchy. In the framework of this methodology we have performed first-principles quantum mechanical calculations of bonding and reaction kinetics of the elementary growth processes and provided critical input in the form of atomistic growth mechanisms and reaction rates for the mesoscale KMC modelling of CVD diamond growth. A key success was achieved by combining first-principles and Monte Carlo studies to elucidate (100) growth mechanisms that have perplexed the diamond growth community for many years.

Citation Format(s)

[ RIS ] [ BibTeX ]

Diamond CVD growth mechanisms and reaction rates from first-principles. / Oleinik, I. I.; Pettifor, D. G.; Sutton, A. P. et al.
In: Materials Research Society Symposium - Proceedings, Vol. 616, 2000, p. 123-128.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Oleinik, II, Pettifor, DG, Sutton, AP, Battaile, CC, Srolovitz, DJ, Butler, JE, Dandy, DS, Harris, SJ & D'Evelyn, MP 2000, 'Diamond CVD growth mechanisms and reaction rates from first-principles', Materials Research Society Symposium - Proceedings, vol. 616, pp. 123-128. https://doi.org/10.1557/PROC-616-123

Oleinik, I. I., Pettifor, D. G., Sutton, A. P., Battaile, C. C., Srolovitz, D. J., Butler, J. E., Dandy, D. S., Harris, S. J., & D'Evelyn, M. P. (2000). Diamond CVD growth mechanisms and reaction rates from first-principles. Materials Research Society Symposium - Proceedings, 616, 123-128. https://doi.org/10.1557/PROC-616-123

Oleinik II, Pettifor DG, Sutton AP, Battaile CC, Srolovitz DJ, Butler JE et al. Diamond CVD growth mechanisms and reaction rates from first-principles. Materials Research Society Symposium - Proceedings. 2000;616:123-128. doi: 10.1557/PROC-616-123

Oleinik, I. I. ; Pettifor, D. G. ; Sutton, A. P. et al. / Diamond CVD growth mechanisms and reaction rates from first-principles. In: Materials Research Society Symposium - Proceedings. 2000 ; Vol. 616. pp. 123-128.