Etching effects during the chemical vapor deposition of (100) diamond
- Sandia National Laboratories, Materials and Process Computation and Modeling, Albuquerque, New Mexico 87185 (United States)
- University of Michigan, Department of Materials Science and Engineering, Ann Arbor, Michigan 48109 (United States)
- University of Oxford, Department of Materials, Oxford OX1 3PH (United Kingdom)
- General Motors RD Center, Physics and Physical Chemistry Department, Warren, Michigan 48090 (United States)
- Naval Research Laboratory, Gas/Surface Dynamics Section, Chemistry Division, Washington, DC 20375 (United States)
Current theories of CVD growth on (100) diamond are unable to account for the numerous experimental observations of slow-growing, locally smooth (100)(2{times}1) films. In this paper we 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)(2{times}1) 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. {copyright} {ital 1999 American Institute of Physics.}
- OSTI ID:
- 362678
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 9 Vol. 111; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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