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A COMPARISON OF THE CORE EXCITON AND NITROGEN DONOR IN DIAMOND

MAINWOOD, A; STONEHAM, AM; (1994) A COMPARISON OF THE CORE EXCITON AND NITROGEN DONOR IN DIAMOND. J PHYS-CONDENS MAT , 6 (26) 4917 - 4927. 10.1088/0953-8984/6/26/013. Green open access

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Abstract

We use molecular dynamics with self-consistent quantum chemistry to compare the dynamics of the relaxation processes around the core exciton in diamond with the properties of the nitrogen substitutional atom, which has the same valence electron configuration. Both show a substantial [111] relaxation, associated with the population of an anti-bonding orbital with a neighbouring carbon and not a Jahn-Teller effect. The relaxation into this stable state has no energy barrier in either case, and excites modes of vibration in the frequency range 50-75 meV, with a possible local mode for the core exciton. The lineshapes for the absorption and emission processes in the creation and recombination of the core exciton are obtained from the dynamic calculation.

Type: Article
Title: A COMPARISON OF THE CORE EXCITON AND NITROGEN DONOR IN DIAMOND
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/0953-8984/6/26/013
Publisher version: http://dx.doi.org/10.1088/0953-8984/6/26/013
Language: English
Additional information: Text made available to UCL Discovery by kind permission of IOP Publishing, 2012
Keywords: DEFECTS, IMPURITIES
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: https://discovery.ucl.ac.uk/id/eprint/172169
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