Search: onr:"swepub:oai:DiVA.org:ltu-6124" > First principles st...
Fältnamn | Indikatorer | Metadata |
---|---|---|
000 | 02639naa a2200373 4500 | |
001 | oai:DiVA.org:ltu-6124 | |
003 | SwePub | |
008 | 160929s2001 | |||||||||||000 ||eng| | |
024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-61242 URI |
024 | 7 | a 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 | 7 | a ref2 swepub-contenttype |
072 | 7 | a art2 swepub-publicationtype |
100 | 1 | a Goss, J.P.u School of Physics, University of Exeter, UK4 aut |
245 | 1 0 | a First principles studies of H in diamond |
264 | 1 | c 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 | 7 | a NATURVETENSKAPx Matematikx Beräkningsmatematik0 (SwePub)101052 hsv//swe |
650 | 7 | a NATURAL SCIENCESx Mathematicsx Computational Mathematics0 (SwePub)101052 hsv//eng |
653 | a Scientific Computing | |
653 | a Teknisk-vetenskapliga beräkningar | |
700 | 1 | a Jones, R.u School of Physics, University of Exeter, UK4 aut |
700 | 1 | a Heggie, M.I.u CPES, University of Sussex, Brighton, UK4 aut |
700 | 1 | a Ewels, C.P.u CPES, University of Sussex, Brighton, UK4 aut |
700 | 1 | a Briddon, P.R.u Department of Physics, University of Newcastle upon Tyne, Newcastle upon Tyne, UK4 aut |
700 | 1 | a Öberg, Svenu Luleå tekniska universitet,Matematiska vetenskaper4 aut0 (Swepub:ltu)oberg |
710 | 2 | a School of Physics, University of Exeter, UKb CPES, University of Sussex, Brighton, UK4 org |
773 | 0 | t Physica status solidi. A, Applied researchg 186:2, s. 263-8q 186:2<263-8x 0031-8965x 1521-396X |
856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-6124 |
856 | 4 8 | u https://doi.org/10.1002/1521-396X(200108)186:2<263::AID-PSSA263>3.0.CO;2-M |
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