Sökning: onr:"swepub:oai:DiVA.org:ltu-15572" >
The lattice locatio...
The lattice location of Ni in diamond : a theoretical study
-
- Goss, J.P. (författare)
- School of Natural Science, University of Newcastle upon Tyne
-
- Briddon, P.R. (författare)
- School of Natural Science, University of Newcastle upon Tyne
-
- Jones, R. (författare)
- School of Physics, University of Exeter
-
visa fler...
-
- Öberg, Sven (författare)
- Luleå tekniska universitet,Matematiska vetenskaper
-
visa färre...
-
(creator_code:org_t)
- 2004-06-08
- 2004
- Engelska.
-
Ingår i: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 16:25, s. 4567-4578
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- Experiment unambiguously shows substitutional nickel is present in as-grown synthetic diamond where Ni is present in the solvent-catalyst. There is less convincing evidence for the presence of an interstitial species. We present the results of first-principles calculations of the properties of substitutional and interstitial Ni in diamond. The formation energy and mobility of the interstitial species suggest that nickel will be predominantly of the substitutional form. We also present possible models for the trigonal 1.404 eV optical centre correlated with the NIRIM-2 paramagnetic defect.
Ämnesord
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Nyckelord
- Scientific Computing
- Teknisk-vetenskapliga beräkningar
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas