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Quantitative analysis of bonding in 90° partial dislocation in diamond

Jenkins, S and Heggie, MI (2000) Quantitative analysis of bonding in 90° partial dislocation in diamond Journal of Physics Condensed Matter, 12 (49). pp. 10325-10333.

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The soliton model for motion of the 90° partial in silicon has provided an explanation for the large reduction in activation energy (1 eV) which occurs under prolonged exposure to an H plasma. Applying the same theoretical model to diamond yields a drop of 1.6 eV and puts dislocation motion into the realm of the possible. Here we examine with the `atoms in molecules' method the bonding in the local energy minima and saddle point structures involved in motion of the 90° partial. We find bonds with graphite character in the soliton, and, to a greater extent, in its saddle points for motion and kink pair nucleation. The presence of H does not suppress this character in any structure other than the kink pair, in which H is far less compressed. Furthermore we characterize the over-coordination of H in these structures.

Item Type: Article
Divisions : Surrey research (other units)
Authors :
Jenkins, S
Date : 11 December 2000
DOI : 10.1088/0953-8984/12/49/336
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:43
Last Modified : 24 Jan 2020 22:43

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