Matches in SemOpenAlex for { <https://semopenalex.org/work/W2043922507> ?p ?o ?g. }
Showing items 1 to 83 of
83
with 100 items per page.
- W2043922507 endingPage "1281" @default.
- W2043922507 startingPage "1279" @default.
- W2043922507 abstract "Abstract We have investigated the structural and vibrational properties of interstitial oxygen in Si1−xGex alloys by using a pseudopotential density-functional code and 128 atom supercells. First, to test the method, well-established data for interstitial oxygen in Si and Ge were reproduced. Secondly, to model the alloys, Si atoms were randomly replaced by Ge atoms in an otherwise perfect 128 Si atom supercell. Atomic and volumetric degrees of freedom were allowed to relax. We found from energetics that interstitial oxygen prefers to bond with silicon atoms for a large range of Ge concentrations (x = 25%, 50%, 75%). The defect model accounts well for the observed red-shift of the asymmetric stretch mode band when increasing the Ge concentration. On the other hand, highly energetic Ge–Oi–Si and Ge–Oi–Ge structures produce frequencies not seen experimentally. Therefore we conclude that oxygen only forms Si–Oi–Si units in crystalline SiGe alloys for a large range of Ge compositions." @default.
- W2043922507 created "2016-06-24" @default.
- W2043922507 creator A5008379979 @default.
- W2043922507 creator A5020530655 @default.
- W2043922507 creator A5089615809 @default.
- W2043922507 creator A5090541369 @default.
- W2043922507 date "2006-06-01" @default.
- W2043922507 modified "2023-09-25" @default.
- W2043922507 title "Ab initio modeling of interstitial oxygen in crystalline SiGe alloys" @default.
- W2043922507 cites W1982024859 @default.
- W2043922507 cites W1982952953 @default.
- W2043922507 cites W1989060947 @default.
- W2043922507 cites W1989134055 @default.
- W2043922507 cites W2004048415 @default.
- W2043922507 cites W2026924684 @default.
- W2043922507 cites W2036113194 @default.
- W2043922507 cites W2042432674 @default.
- W2043922507 cites W2051223105 @default.
- W2043922507 cites W2059266695 @default.
- W2043922507 cites W2067298789 @default.
- W2043922507 cites W2075382846 @default.
- W2043922507 cites W2076900642 @default.
- W2043922507 cites W2104045770 @default.
- W2043922507 cites W2141932564 @default.
- W2043922507 cites W2166589630 @default.
- W2043922507 doi "https://doi.org/10.1016/j.jnoncrysol.2005.11.129" @default.
- W2043922507 hasPublicationYear "2006" @default.
- W2043922507 type Work @default.
- W2043922507 sameAs 2043922507 @default.
- W2043922507 citedByCount "6" @default.
- W2043922507 countsByYear W20439225072012 @default.
- W2043922507 countsByYear W20439225072016 @default.
- W2043922507 countsByYear W20439225072021 @default.
- W2043922507 crossrefType "journal-article" @default.
- W2043922507 hasAuthorship W2043922507A5008379979 @default.
- W2043922507 hasAuthorship W2043922507A5020530655 @default.
- W2043922507 hasAuthorship W2043922507A5089615809 @default.
- W2043922507 hasAuthorship W2043922507A5090541369 @default.
- W2043922507 hasConcept C121332964 @default.
- W2043922507 hasConcept C147597530 @default.
- W2043922507 hasConcept C178790620 @default.
- W2043922507 hasConcept C183971685 @default.
- W2043922507 hasConcept C185592680 @default.
- W2043922507 hasConcept C192562407 @default.
- W2043922507 hasConcept C26873012 @default.
- W2043922507 hasConcept C2781442258 @default.
- W2043922507 hasConcept C2994492776 @default.
- W2043922507 hasConcept C32909587 @default.
- W2043922507 hasConcept C540031477 @default.
- W2043922507 hasConcept C8010536 @default.
- W2043922507 hasConceptScore W2043922507C121332964 @default.
- W2043922507 hasConceptScore W2043922507C147597530 @default.
- W2043922507 hasConceptScore W2043922507C178790620 @default.
- W2043922507 hasConceptScore W2043922507C183971685 @default.
- W2043922507 hasConceptScore W2043922507C185592680 @default.
- W2043922507 hasConceptScore W2043922507C192562407 @default.
- W2043922507 hasConceptScore W2043922507C26873012 @default.
- W2043922507 hasConceptScore W2043922507C2781442258 @default.
- W2043922507 hasConceptScore W2043922507C2994492776 @default.
- W2043922507 hasConceptScore W2043922507C32909587 @default.
- W2043922507 hasConceptScore W2043922507C540031477 @default.
- W2043922507 hasConceptScore W2043922507C8010536 @default.
- W2043922507 hasIssue "9-20" @default.
- W2043922507 hasLocation W20439225071 @default.
- W2043922507 hasOpenAccess W2043922507 @default.
- W2043922507 hasPrimaryLocation W20439225071 @default.
- W2043922507 hasRelatedWork W1506534763 @default.
- W2043922507 hasRelatedWork W1964051198 @default.
- W2043922507 hasRelatedWork W1974088854 @default.
- W2043922507 hasRelatedWork W1975884797 @default.
- W2043922507 hasRelatedWork W1996196040 @default.
- W2043922507 hasRelatedWork W2026760659 @default.
- W2043922507 hasRelatedWork W2058003143 @default.
- W2043922507 hasRelatedWork W2065182623 @default.
- W2043922507 hasRelatedWork W2074949989 @default.
- W2043922507 hasRelatedWork W4308274255 @default.
- W2043922507 hasVolume "352" @default.
- W2043922507 isParatext "false" @default.
- W2043922507 isRetracted "false" @default.
- W2043922507 magId "2043922507" @default.
- W2043922507 workType "article" @default.