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Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond

Goss, JP, Rayson, MJ, Briddon, PR and Baker, JM (2007) Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond Physical Review B - Condensed Matter and Materials Physics, 76 (4).

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Abstract

Diamond is a material that shows great promise for particle detection applications. However, under irradiation with energetic particles, many thermally stable defects are created, made up of lattice vacancies, self-interstitials, and complexes with impurities. Relatively distant Frenkel (vacancy-self-interstitial) pairs have long been used to explain optical and magnetic spectra in irradiated material. However, in diamond we show, using first-principles methods, that the ability of carbon to form s p2 -, s p3 -, and π -bonding configurations leads to particularly strong reconstructions between vacancy-self-interstitial pairs within a few atomic spacings of each other. The resultant complexes are anticipated to be optically and paramagnetically active, and we propose correlation of negatively charged Frenkel pairs with the W11-W14 paramagnetic centers, where substitutional nitrogen donors act as source of electrons and are not an intimate component part of the paramagnetic defects. © 2007 The American Physical Society.

Item Type: Article
Authors :
NameEmailORCID
Goss, JPUNSPECIFIEDUNSPECIFIED
Rayson, MJm.j.rayson@surrey.ac.ukUNSPECIFIED
Briddon, PRUNSPECIFIEDUNSPECIFIED
Baker, JMUNSPECIFIEDUNSPECIFIED
Date : 3 July 2007
Identification Number : 10.1103/PhysRevB.76.045203
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 13:04
Last Modified : 17 May 2017 13:04
URI: http://epubs.surrey.ac.uk/id/eprint/837792

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