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Effect of Substitutional or Chemisorbed Nitrogen on the Diamond (100) Growth Process

Published online by Cambridge University Press:  31 January 2011

Karin Larsson
Karin Larsson*
Affiliation:
karin.larsson@mkem.uu.se
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Abstract

The present paper outlines the energetic and kinetic effect by substitutional N, or by coadsorbed NHx (x =1, 2), on one of the key growth steps in the CVD growth mechanism of diamond (100); H abstraction by gaseous H radical species from the (100) surface plane. Theoretical calculations were performed based on Density Functional Theory under periodic boundary conditions. Substitutionally positioned N was shown to have a large effect on the H abstraction process. The H abstraction energy from the diamond surface was greatly improved with N positioned in C layer 2. In order to outline the effect by N on the growth rate, the barriers of energies were calculated. The barrier of abstraction was shown to substantially decrease with N substitutionally positioned in the second C layer, leading to an improvement of the abstraction reaction rate by approximately a factor of 3.

Keywords

diamondchemical vapor deposition (CVD) (deposition)simulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1203: Symposium J – Diamond Electronics and Bioelectronics-Fundamentals to Applications III , 2009 , 1203-J16-01
Copyright
Copyright © Materials Research Society 2010

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