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Hyperfine interacti...
Hyperfine interaction of H-divacancy in diamond
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- Atumi, M.K. (författare)
- Faculty of Education, Tripoli University, Libya
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- Goss, J.P. (författare)
- School of Electrical, Electronic, and Computer Engineering, Newcastle University, Newcastle upon Tyne NE1 7RU, England, United Kingdom
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- Briddon, P.R. (författare)
- School of Electrical, Electronic, and Computer Engineering, Newcastle University, Newcastle upon Tyne NE1 7RU, England, United Kingdom
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- Gsiea, A.M. (författare)
- Faculty of Education, Tripoli University, Libya
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- Rayson, Mark (författare)
- Luleå tekniska universitet,Matematiska vetenskaper
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(creator_code:org_t)
- Elsevier, 2020
- 2020
- Engelska.
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Ingår i: Results in Physics. - : Elsevier. - 2211-3797. ; 16
- Relaterad länk:
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https://doi.org/10.1...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We present a first principles density functional theory study of microscopic properties of hydrogen defect centres in diamond. Several configurations, involving interstitial hydrogen impurities, have been considered either forming with other defects, such as hydrogen defects and vacancies. The atomic structures, and hyperfine parameters of hydrogen result compared with the experimental data on electrically active centres in synthetic diamond. Based on Local density functional theory our calculations are in excellent agreement with one interpretation of electron paramagnetic resonance of hydrogen in diamond.
Ämnesord
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Nyckelord
- DFT
- Hydrogen
- EPR
- Diamond
- Scientific Computing
- Teknisk-vetenskapliga beräkningar
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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