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WFRF:(Briddon P. R.)
 

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LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00002639naa a2200373 4500
001oai:DiVA.org:ltu-6124
003SwePub
008160929s2001 | |||||||||||000 ||eng|
024a https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-61242 URI
024a https://doi.org/10.1002/1521-396X(200108)186:2<263::AID-PSSA263>3.0.CO;2-M2 DOI
040 a (SwePub)ltu
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
100a Goss, J.P.u School of Physics, University of Exeter, UK4 aut
2451 0a First principles studies of H in diamond
264 1c 2001
338 a print2 rdacarrier
500 a Validerad; 2001; 20070221 (kani)
520 a Ab initio methods are used to investigate hydrogen defects in diamond. For the isolated impurity, the bond-centered site is found lowest in energy and posses both donor and acceptor levels. The neutral defect possesses a single local mode with very small infrared effective charge, but the effective charge for the negative charge state is much larger. H+ is calculated to be very mobile with a low activation barrier. Hydrogen dimers are stable as H*2 defects which are also found to be almost IR-inactive. The complex between B and H is investigated and the activation energy for the reaction B-H → B - + H+ found to be in rasonable agreement with experiment. Hydrogen is strongly bound to dislocations which, together with H*2, may form part of the hydrogen accumulation layer detected in some plasma studies.
650 7a NATURVETENSKAPx Matematikx Beräkningsmatematik0 (SwePub)101052 hsv//swe
650 7a NATURAL SCIENCESx Mathematicsx Computational Mathematics0 (SwePub)101052 hsv//eng
653 a Scientific Computing
653 a Teknisk-vetenskapliga beräkningar
700a Jones, R.u School of Physics, University of Exeter, UK4 aut
700a Heggie, M.I.u CPES, University of Sussex, Brighton, UK4 aut
700a Ewels, C.P.u CPES, University of Sussex, Brighton, UK4 aut
700a Briddon, P.R.u Department of Physics, University of Newcastle upon Tyne, Newcastle upon Tyne, UK4 aut
700a Öberg, Svenu Luleå tekniska universitet,Matematiska vetenskaper4 aut0 (Swepub:ltu)oberg
710a School of Physics, University of Exeter, UKb CPES, University of Sussex, Brighton, UK4 org
773t Physica status solidi. A, Applied researchg 186:2, s. 263-8q 186:2<263-8x 0031-8965x 1521-396X
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-6124
8564 8u https://doi.org/10.1002/1521-396X(200108)186:2<263::AID-PSSA263>3.0.CO;2-M

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