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Effect of Sulphur and Phosphorous Doping on the Growth Rate of CVD Diamond (111)
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström.
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström.
(English)In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731Article in journal (Refereed) Submitted
Abstract [en]

The purpose with the present study has been to theoretically investigate the effect of P (or S) doping on the diamond growth rate. The highly symmetric diamond (111) surface, terminated by H atoms, was thereby carefully investigated using density functional theory calculations under periodic boundary conditions. It was shown that both the thermodynamic and kinetic aspects of P (or S) doping during diamond growth will be severely affected by the dopants (as compared with the non-doped situations). More specifically, the results showed that P (positioned within the 2nd, 3rd or 4th layer), will cause an enhancement in the growth rate. On the other hand, any growth rate improvement do only occur when positioning S in the 4th atomic C layer. With S in atomic layers 1, 2 and 3, the growth rates were observed to decrease. These observations did correlate with experimental results.

Keyword [en]
Diamond, Growth rate, CVD, Ab initio theory, P doping, S doping
National Category
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-271507OAI: oai:DiVA.org:uu-271507DiVA: diva2:892042
Available from: 2016-01-08 Created: 2016-01-08 Last updated: 2017-12-01

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Zou, Yiming

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