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Title: Etching Effects During the Chemical Vapor Deposition of (100) Diamond

Abstract

Current theories of CVD growth on (100) diamond are unable to account for the numerous experimental observations of slow-growing, locally smooth (100)(2x1) films. In this paper they use quantum mechanical calculations of diamond surface thermochemistry and atomic-scale kinetic Monte Carlo simulations of deposition to investigate the efficacy of preferential etching as a mechanism that can help to reconcile this discrepancy. This etching mechanism allows for the removal of undercoordinated carbon atoms from the diamond surface. In the absence of etching, simulated growth on the (100)(2x1) surface is faster than growth on the (110) and (111) surfaces, and the (100) surface is atomically rough. When etching is included in the simulations, the (100) growth rates decrease to values near those observed experimentally, while the rates of growth on the other surfaces remain largely unaffected and similar to those observed experimentally. In addition, the etching mechanism promotes the growth of smooth (100) surface regions in agreement with numerous scanning probe studies.

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:
9496
Report Number(s):
SAND99-2015J
TRN: AH200124%%388
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Other Information: Submitted to Journal of Chemical Physics; PBD: 2 Aug 1999
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMS; CARBON; CHEMICAL VAPOR DEPOSITION; DEPOSITION; DIAMONDS; ETCHING; KINETICS; PROBES; REMOVAL

Citation Formats

Battaile, C.C., Srolovitz, D.J., Oleinik, I.I., Pettifor, D.G., Sutton, A.P., Harris, S.J., and Butler, J.E. Etching Effects During the Chemical Vapor Deposition of (100) Diamond. United States: N. p., 1999. Web. doi:10.1063/1.479727.
Battaile, C.C., Srolovitz, D.J., Oleinik, I.I., Pettifor, D.G., Sutton, A.P., Harris, S.J., & Butler, J.E. Etching Effects During the Chemical Vapor Deposition of (100) Diamond. United States. doi:10.1063/1.479727.
Battaile, C.C., Srolovitz, D.J., Oleinik, I.I., Pettifor, D.G., Sutton, A.P., Harris, S.J., and Butler, J.E. Mon . "Etching Effects During the Chemical Vapor Deposition of (100) Diamond". United States. doi:10.1063/1.479727. https://www.osti.gov/servlets/purl/9496.
@article{osti_9496,
title = {Etching Effects During the Chemical Vapor Deposition of (100) Diamond},
author = {Battaile, C.C. and Srolovitz, D.J. and Oleinik, I.I. and Pettifor, D.G. and Sutton, A.P. and Harris, S.J. and Butler, J.E.},
abstractNote = {Current theories of CVD growth on (100) diamond are unable to account for the numerous experimental observations of slow-growing, locally smooth (100)(2x1) films. In this paper they use quantum mechanical calculations of diamond surface thermochemistry and atomic-scale kinetic Monte Carlo simulations of deposition to investigate the efficacy of preferential etching as a mechanism that can help to reconcile this discrepancy. This etching mechanism allows for the removal of undercoordinated carbon atoms from the diamond surface. In the absence of etching, simulated growth on the (100)(2x1) surface is faster than growth on the (110) and (111) surfaces, and the (100) surface is atomically rough. When etching is included in the simulations, the (100) growth rates decrease to values near those observed experimentally, while the rates of growth on the other surfaces remain largely unaffected and similar to those observed experimentally. In addition, the etching mechanism promotes the growth of smooth (100) surface regions in agreement with numerous scanning probe studies.},
doi = {10.1063/1.479727},
journal = {Journal of Chemical Physics},
number = ,
volume = ,
place = {United States},
year = {1999},
month = {8}
}