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dc.contributor.authorPARK, YK-
dc.contributor.authorESTREICHER, SK-
dc.contributor.authorMYLES, CW-
dc.contributor.authorFEDDERS, PA-
dc.date.accessioned2024-01-21T20:38:19Z-
dc.date.available2024-01-21T20:38:19Z-
dc.date.created2021-09-01-
dc.date.issued1995-07-15-
dc.identifier.issn0163-1829-
dc.identifier.urihttps://pubs.kist.re.kr/handle/201004/145042-
dc.description.abstractThe neutral vacancy (V) and the four vacancy-hydrogen complexes ({V,H-n}, n = 1,...,4), in silicon are studied in HnSi63 periodic supercells with the ab initio pseudo-atomic-orbital molecular-dynamics method developed by Sankey and co-workers. Results are presented for (i) the equilibrium configurations of V and the {V,H-n} complexes, (ii) the diffusion properties of V and {V,H-1}, (iii) the vibrational modes of the {V,H-n}, and (iv) the interactions between isolated H and V.-
dc.languageEnglish-
dc.publisherAMERICAN PHYSICAL SOC-
dc.subjectNEGATIVE-U SYSTEM-
dc.subjectCRYSTALLINE SILICON-
dc.subjectINTERSTITIAL HYDROGEN-
dc.subjectELECTRONIC-STRUCTURE-
dc.subjectVIBRATIONAL-SPECTRA-
dc.subjectSI-
dc.subjectDIFFUSION-
dc.subjectPSEUDOPOTENTIALS-
dc.subjectSIMULATIONS-
dc.subjectCOMPLEXES-
dc.titleMOLECULAR-DYNAMICS STUDY OF THE VACANCY AND VACANCY-HYDROGEN INTERACTIONS IN SILICON-
dc.typeArticle-
dc.identifier.doi10.1103/PhysRevB.52.1718-
dc.description.journalClass1-
dc.identifier.bibliographicCitationPHYSICAL REVIEW B, v.52, no.3, pp.1718 - 1723-
dc.citation.titlePHYSICAL REVIEW B-
dc.citation.volume52-
dc.citation.number3-
dc.citation.startPage1718-
dc.citation.endPage1723-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.identifier.wosidA1995RL52500055-
dc.relation.journalWebOfScienceCategoryMaterials Science, Multidisciplinary-
dc.relation.journalWebOfScienceCategoryPhysics, Applied-
dc.relation.journalWebOfScienceCategoryPhysics, Condensed Matter-
dc.relation.journalResearchAreaMaterials Science-
dc.relation.journalResearchAreaPhysics-
dc.type.docTypeArticle-
dc.subject.keywordPlusNEGATIVE-U SYSTEM-
dc.subject.keywordPlusCRYSTALLINE SILICON-
dc.subject.keywordPlusINTERSTITIAL HYDROGEN-
dc.subject.keywordPlusELECTRONIC-STRUCTURE-
dc.subject.keywordPlusVIBRATIONAL-SPECTRA-
dc.subject.keywordPlusSI-
dc.subject.keywordPlusDIFFUSION-
dc.subject.keywordPlusPSEUDOPOTENTIALS-
dc.subject.keywordPlusSIMULATIONS-
dc.subject.keywordPlusCOMPLEXES-
dc.subject.keywordAuthorsilicon-
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