Matches in SemOpenAlex for { <https://semopenalex.org/work/W2042083728> ?p ?o ?g. }
Showing items 1 to 97 of
97
with 100 items per page.
- W2042083728 endingPage "2959" @default.
- W2042083728 startingPage "2951" @default.
- W2042083728 abstract "The energetics of substitutional cation impurities in the bulk volume and at the Σ7 (1̄012) rhombohedral twin boundary in alumina (α-Al2O3) were studied by means of ab-initio mixed-basis pseudopotential calculations based on the local density functional theory. For fifteen different substitutional cation impurity species, the positions of the impurity energy levels relative to the valence bands of the oxide were determined, and the type of bonding versus the atomic number of the impurity cation was analysed. For the rhombohedral twin boundary, increased propensity for segregation was found for impurity cations of large ionic radii for which an enhanced overlap between impurity and oxygen electronic states was observed. The effect of structural relaxation at the boundary was studied for the isovalent group-IIIB impurities Sc, Y and La. Segregation broke the screw-rotation symmetry of the pure, unsegregated boundary and altered the interface-plane termination." @default.
- W2042083728 created "2016-06-24" @default.
- W2042083728 creator A5075700686 @default.
- W2042083728 creator A5078990821 @default.
- W2042083728 date "2001-09-03" @default.
- W2042083728 modified "2023-10-16" @default.
- W2042083728 title "Substitutional cation impurities in α-Al2O3: ab-initio case study of segregation to the rhombohedral twin boundary" @default.
- W2042083728 cites W1562847811 @default.
- W2042083728 cites W1969027870 @default.
- W2042083728 cites W1972909908 @default.
- W2042083728 cites W2020016826 @default.
- W2042083728 cites W2025259993 @default.
- W2042083728 cites W2026907619 @default.
- W2042083728 cites W2028364982 @default.
- W2042083728 cites W2052637367 @default.
- W2042083728 cites W2052649582 @default.
- W2042083728 cites W2056722718 @default.
- W2042083728 cites W2065868123 @default.
- W2042083728 cites W2076858582 @default.
- W2042083728 cites W2081732896 @default.
- W2042083728 cites W2086595134 @default.
- W2042083728 cites W2134242679 @default.
- W2042083728 cites W2162802731 @default.
- W2042083728 cites W2975784945 @default.
- W2042083728 cites W347232561 @default.
- W2042083728 doi "https://doi.org/10.1016/s1359-6454(01)00213-0" @default.
- W2042083728 hasPublicationYear "2001" @default.
- W2042083728 type Work @default.
- W2042083728 sameAs 2042083728 @default.
- W2042083728 citedByCount "29" @default.
- W2042083728 countsByYear W20420837282012 @default.
- W2042083728 countsByYear W20420837282013 @default.
- W2042083728 countsByYear W20420837282015 @default.
- W2042083728 countsByYear W20420837282017 @default.
- W2042083728 countsByYear W20420837282023 @default.
- W2042083728 crossrefType "journal-article" @default.
- W2042083728 hasAuthorship W2042083728A5075700686 @default.
- W2042083728 hasAuthorship W2042083728A5078990821 @default.
- W2042083728 hasConcept C115624301 @default.
- W2042083728 hasConcept C121332964 @default.
- W2042083728 hasConcept C132378524 @default.
- W2042083728 hasConcept C147597530 @default.
- W2042083728 hasConcept C152365726 @default.
- W2042083728 hasConcept C168900304 @default.
- W2042083728 hasConcept C178790620 @default.
- W2042083728 hasConcept C183971685 @default.
- W2042083728 hasConcept C185592680 @default.
- W2042083728 hasConcept C191897082 @default.
- W2042083728 hasConcept C192562407 @default.
- W2042083728 hasConcept C194185919 @default.
- W2042083728 hasConcept C26873012 @default.
- W2042083728 hasConcept C2781442258 @default.
- W2042083728 hasConcept C32909587 @default.
- W2042083728 hasConcept C6840138 @default.
- W2042083728 hasConcept C71987851 @default.
- W2042083728 hasConcept C8010536 @default.
- W2042083728 hasConcept C87976508 @default.
- W2042083728 hasConceptScore W2042083728C115624301 @default.
- W2042083728 hasConceptScore W2042083728C121332964 @default.
- W2042083728 hasConceptScore W2042083728C132378524 @default.
- W2042083728 hasConceptScore W2042083728C147597530 @default.
- W2042083728 hasConceptScore W2042083728C152365726 @default.
- W2042083728 hasConceptScore W2042083728C168900304 @default.
- W2042083728 hasConceptScore W2042083728C178790620 @default.
- W2042083728 hasConceptScore W2042083728C183971685 @default.
- W2042083728 hasConceptScore W2042083728C185592680 @default.
- W2042083728 hasConceptScore W2042083728C191897082 @default.
- W2042083728 hasConceptScore W2042083728C192562407 @default.
- W2042083728 hasConceptScore W2042083728C194185919 @default.
- W2042083728 hasConceptScore W2042083728C26873012 @default.
- W2042083728 hasConceptScore W2042083728C2781442258 @default.
- W2042083728 hasConceptScore W2042083728C32909587 @default.
- W2042083728 hasConceptScore W2042083728C6840138 @default.
- W2042083728 hasConceptScore W2042083728C71987851 @default.
- W2042083728 hasConceptScore W2042083728C8010536 @default.
- W2042083728 hasConceptScore W2042083728C87976508 @default.
- W2042083728 hasIssue "15" @default.
- W2042083728 hasLocation W20420837281 @default.
- W2042083728 hasOpenAccess W2042083728 @default.
- W2042083728 hasPrimaryLocation W20420837281 @default.
- W2042083728 hasRelatedWork W1666168768 @default.
- W2042083728 hasRelatedWork W1670470044 @default.
- W2042083728 hasRelatedWork W2049377478 @default.
- W2042083728 hasRelatedWork W2067568645 @default.
- W2042083728 hasRelatedWork W2124430337 @default.
- W2042083728 hasRelatedWork W2371733198 @default.
- W2042083728 hasRelatedWork W239852019 @default.
- W2042083728 hasRelatedWork W2517643873 @default.
- W2042083728 hasRelatedWork W2768993273 @default.
- W2042083728 hasRelatedWork W2904538082 @default.
- W2042083728 hasVolume "49" @default.
- W2042083728 isParatext "false" @default.
- W2042083728 isRetracted "false" @default.
- W2042083728 magId "2042083728" @default.
- W2042083728 workType "article" @default.