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Mg-H and Be-H compl...
Mg-H and Be-H complexes in cubic boron nitride
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- Pinho, N.M.C. (författare)
- Department of Physics, University of Aveiro
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- Torres, V.J.B. (författare)
- Department of Physics, University of Aveiro
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- Jones, R. (författare)
- School of Physics, University of Exeter
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- Briddon, P.R. (författare)
- Department of Physics, University of Newcastle
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- Öberg, Sven (författare)
- Luleå tekniska universitet,Matematiska vetenskaper
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(creator_code:org_t)
- 2001-09-20
- 2001
- Engelska.
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Ingår i: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 13:40, s. 8951-8956
- Relaterad länk:
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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
- Ab initio calculations on hydrogen complexes with Mg and Be impurities in c-BN are reported. We find that both impurities are acceptors and both bind H to form passive defects. However, their structures are different. For Be-H, the H atom lies at a puckered bond-centre configuration similar to that of C-H in GaAs, while in Mg-H, the H atom lies at a site anti-bonding to a N neighbour of the impurity. The hydrogen-related vibrational modes of the two complexes are also reported.
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)
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