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An ab initio study of the 90° partial dislocation core in diamond

Sitch, PK, Jones, R, Öberg, S and Heggie, MI (1997) An ab initio study of the 90° partial dislocation core in diamond Journal de Physique III, 7 (7). pp. 1381-1387.

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Abstract

The electronic and structural properties of the 90° glide partial dislocation in diamond are investigated using an ab initio local density functional cluster method. The core C-C bond is found to be reconstructed with a bond length 5% longer than that in bulk diamond. The formation and migration energy of the kink on the dislocation are calculated to be 0.32 and 2.97 eV respectively. Further, the shift of the gap levels during kink motion suggests that p-type doping will lead to an increase in the mobility of the partial. © Les Éditions de Physique 1997.

Item Type: Article
Authors :
NameEmailORCID
Sitch, PKUNSPECIFIEDUNSPECIFIED
Jones, RUNSPECIFIEDUNSPECIFIED
Öberg, SUNSPECIFIEDUNSPECIFIED
Heggie, MIm.heggie@surrey.ac.ukUNSPECIFIED
Date : 1 July 1997
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:43
Last Modified : 17 May 2017 12:43
URI: http://epubs.surrey.ac.uk/id/eprint/836466

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