Transition metals in diamond: experimental and theoretical identification of Co-N complexes

Diamonds grown using a cobalt/iron catalyst and annealed at 1800 degrees C were studied using two experimental techniques. A zero-phonon line, observed in photoluminescence at 2.367 eV, showed the splitting under uniaxial stress characteristic of an optical transition at a defect of trigonal symmetr...

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Hoofdauteurs: Johnston, K, Mainwood, A, Collins, A, Davies, G, Twitchen, D, Baker, M, Newton, M
Formaat: Conference item
Gepubliceerd in: 1999
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author Johnston, K
Mainwood, A
Collins, A
Davies, G
Twitchen, D
Baker, M
Newton, M
author_facet Johnston, K
Mainwood, A
Collins, A
Davies, G
Twitchen, D
Baker, M
Newton, M
author_sort Johnston, K
collection OXFORD
description Diamonds grown using a cobalt/iron catalyst and annealed at 1800 degrees C were studied using two experimental techniques. A zero-phonon line, observed in photoluminescence at 2.367 eV, showed the splitting under uniaxial stress characteristic of an optical transition at a defect of trigonal symmetry. The same samples were measured by electron paramagnetic resonance (EPR) spectroscopy where they showed the defect labelled O4. This centre contains cobalt and possibly nitrogen, but has monoclinic symmetry. Ab initio modelling using the local density approach (LDA) with the code AIMPRO suggests that the optical transition is at a defect consisting of neighbouring substitutional cobalt and nitrogen atoms. A plausible model for the EPR data is a cobalt atom at the centre of a divacancy with a neighbouring nitrogen atom. We conclude that the defects giving rise to the 2.367 eV photoluminescence and EPR O4 centres are both simple cobalt-nitrogen pairs. (C) 1999 Elsevier Science B.V. All rights reserved.
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spelling oxford-uuid:71c8ab9e-ada0-48c6-a707-9a42d41aefd12022-03-26T19:45:48ZTransition metals in diamond: experimental and theoretical identification of Co-N complexesConference itemhttp://purl.org/coar/resource_type/c_5794uuid:71c8ab9e-ada0-48c6-a707-9a42d41aefd1Symplectic Elements at Oxford1999Johnston, KMainwood, ACollins, ADavies, GTwitchen, DBaker, MNewton, MDiamonds grown using a cobalt/iron catalyst and annealed at 1800 degrees C were studied using two experimental techniques. A zero-phonon line, observed in photoluminescence at 2.367 eV, showed the splitting under uniaxial stress characteristic of an optical transition at a defect of trigonal symmetry. The same samples were measured by electron paramagnetic resonance (EPR) spectroscopy where they showed the defect labelled O4. This centre contains cobalt and possibly nitrogen, but has monoclinic symmetry. Ab initio modelling using the local density approach (LDA) with the code AIMPRO suggests that the optical transition is at a defect consisting of neighbouring substitutional cobalt and nitrogen atoms. A plausible model for the EPR data is a cobalt atom at the centre of a divacancy with a neighbouring nitrogen atom. We conclude that the defects giving rise to the 2.367 eV photoluminescence and EPR O4 centres are both simple cobalt-nitrogen pairs. (C) 1999 Elsevier Science B.V. All rights reserved.
spellingShingle Johnston, K
Mainwood, A
Collins, A
Davies, G
Twitchen, D
Baker, M
Newton, M
Transition metals in diamond: experimental and theoretical identification of Co-N complexes
title Transition metals in diamond: experimental and theoretical identification of Co-N complexes
title_full Transition metals in diamond: experimental and theoretical identification of Co-N complexes
title_fullStr Transition metals in diamond: experimental and theoretical identification of Co-N complexes
title_full_unstemmed Transition metals in diamond: experimental and theoretical identification of Co-N complexes
title_short Transition metals in diamond: experimental and theoretical identification of Co-N complexes
title_sort transition metals in diamond experimental and theoretical identification of co n complexes
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