Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond
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-sel...
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Format: | Journal article |
Language: | English |
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2007
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author | Goss, J Rayson, M Briddon, P Baker, M |
author_facet | Goss, J Rayson, M Briddon, P Baker, M |
author_sort | Goss, J |
collection | OXFORD |
description | 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. |
first_indexed | 2024-03-06T18:18:06Z |
format | Journal article |
id | oxford-uuid:05522000-e069-41f6-8fba-37e0dfd87a15 |
institution | University of Oxford |
language | English |
last_indexed | 2024-03-06T18:18:06Z |
publishDate | 2007 |
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spelling | oxford-uuid:05522000-e069-41f6-8fba-37e0dfd87a152022-03-26T08:56:32ZMetastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamondJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:05522000-e069-41f6-8fba-37e0dfd87a15EnglishSymplectic Elements at Oxford2007Goss, JRayson, MBriddon, PBaker, MDiamond 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. |
spellingShingle | Goss, J Rayson, M Briddon, P Baker, M Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond |
title | Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond |
title_full | Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond |
title_fullStr | Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond |
title_full_unstemmed | Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond |
title_short | Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond |
title_sort | metastable frenkel pairs and the w11 w14 electron paramagnetic resonance centers in diamond |
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