Matches in SemOpenAlex for { <https://semopenalex.org/work/W2080746611> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W2080746611 endingPage "2759" @default.
- W2080746611 startingPage "2757" @default.
- W2080746611 abstract "We present an ab initio study of diluted Cd impurities localized at both cation sites of the semiconductor Sc2O3. The electric-field-gradient (EFG) tensor at Cd impurities located at both cationic sites of the host structure was determined from the calculation of the electronic structure of the doped system. Calculations were performed with the full-potential augmented-plane wave plus local orbitals (APW+lo) method within the framework of the density functional theory. We studied the atomic structural relaxations and the perturbation of the electronic charge density induced by the impurities in the host system in a fully self-consistent way. We showed that the Cd impurity introduces an increase of 8% in the nearest oxygen neighbors bond-lengths, changing the EFG sign for probes located at the asymmetric cation site. The APW+lo predictions for the charged state of the Cd impurity were compared with EFG results existent in the literature, coming from time-differential γ–γ perturbed-angular-correlations experiments performed on 111Cd-implanted Sc2O3 powder samples. From the excellent agreement between theory and experiment, we can strongly suggest that the Cd acceptor impurities are ionized at room temperature. Finally, we showed that simple calculations like those performed within the point-charge model with antishielding factors do not correctly describe the problem of a Cd impurity in Sc2O3." @default.
- W2080746611 created "2016-06-24" @default.
- W2080746611 creator A5001285324 @default.
- W2080746611 creator A5004819719 @default.
- W2080746611 creator A5055501505 @default.
- W2080746611 creator A5061284380 @default.
- W2080746611 date "2009-10-01" @default.
- W2080746611 modified "2023-10-05" @default.
- W2080746611 title "Ab initio study of the EFG tensor at Cd impurities in Sc2O3 semiconductor" @default.
- W2080746611 cites W1607546979 @default.
- W2080746611 cites W1965963609 @default.
- W2080746611 cites W1974715401 @default.
- W2080746611 cites W1991204209 @default.
- W2080746611 cites W2047867617 @default.
- W2080746611 cites W2048835561 @default.
- W2080746611 cites W2049079467 @default.
- W2080746611 cites W2055411799 @default.
- W2080746611 cites W2073711236 @default.
- W2080746611 cites W2314654936 @default.
- W2080746611 doi "https://doi.org/10.1016/j.physb.2009.06.073" @default.
- W2080746611 hasPublicationYear "2009" @default.
- W2080746611 type Work @default.
- W2080746611 sameAs 2080746611 @default.
- W2080746611 citedByCount "9" @default.
- W2080746611 countsByYear W20807466112012 @default.
- W2080746611 countsByYear W20807466112013 @default.
- W2080746611 countsByYear W20807466112016 @default.
- W2080746611 countsByYear W20807466112020 @default.
- W2080746611 countsByYear W20807466112022 @default.
- W2080746611 crossrefType "journal-article" @default.
- W2080746611 hasAuthorship W2080746611A5001285324 @default.
- W2080746611 hasAuthorship W2080746611A5004819719 @default.
- W2080746611 hasAuthorship W2080746611A5055501505 @default.
- W2080746611 hasAuthorship W2080746611A5061284380 @default.
- W2080746611 hasConcept C121332964 @default.
- W2080746611 hasConcept C147120987 @default.
- W2080746611 hasConcept C147597530 @default.
- W2080746611 hasConcept C152365726 @default.
- W2080746611 hasConcept C178790620 @default.
- W2080746611 hasConcept C183971685 @default.
- W2080746611 hasConcept C184779094 @default.
- W2080746611 hasConcept C185592680 @default.
- W2080746611 hasConcept C189394030 @default.
- W2080746611 hasConcept C192562407 @default.
- W2080746611 hasConcept C26873012 @default.
- W2080746611 hasConcept C2781442258 @default.
- W2080746611 hasConcept C32909587 @default.
- W2080746611 hasConcept C41999313 @default.
- W2080746611 hasConcept C62520636 @default.
- W2080746611 hasConcept C71987851 @default.
- W2080746611 hasConcept C86025842 @default.
- W2080746611 hasConceptScore W2080746611C121332964 @default.
- W2080746611 hasConceptScore W2080746611C147120987 @default.
- W2080746611 hasConceptScore W2080746611C147597530 @default.
- W2080746611 hasConceptScore W2080746611C152365726 @default.
- W2080746611 hasConceptScore W2080746611C178790620 @default.
- W2080746611 hasConceptScore W2080746611C183971685 @default.
- W2080746611 hasConceptScore W2080746611C184779094 @default.
- W2080746611 hasConceptScore W2080746611C185592680 @default.
- W2080746611 hasConceptScore W2080746611C189394030 @default.
- W2080746611 hasConceptScore W2080746611C192562407 @default.
- W2080746611 hasConceptScore W2080746611C26873012 @default.
- W2080746611 hasConceptScore W2080746611C2781442258 @default.
- W2080746611 hasConceptScore W2080746611C32909587 @default.
- W2080746611 hasConceptScore W2080746611C41999313 @default.
- W2080746611 hasConceptScore W2080746611C62520636 @default.
- W2080746611 hasConceptScore W2080746611C71987851 @default.
- W2080746611 hasConceptScore W2080746611C86025842 @default.
- W2080746611 hasIssue "18" @default.
- W2080746611 hasLocation W20807466111 @default.
- W2080746611 hasOpenAccess W2080746611 @default.
- W2080746611 hasPrimaryLocation W20807466111 @default.
- W2080746611 hasRelatedWork W1644329812 @default.
- W2080746611 hasRelatedWork W1990576979 @default.
- W2080746611 hasRelatedWork W2008189102 @default.
- W2080746611 hasRelatedWork W2092166968 @default.
- W2080746611 hasRelatedWork W2134737999 @default.
- W2080746611 hasRelatedWork W2759501012 @default.
- W2080746611 hasRelatedWork W2790225461 @default.
- W2080746611 hasRelatedWork W2796993212 @default.
- W2080746611 hasRelatedWork W3196250796 @default.
- W2080746611 hasRelatedWork W4289534174 @default.
- W2080746611 hasVolume "404" @default.
- W2080746611 isParatext "false" @default.
- W2080746611 isRetracted "false" @default.
- W2080746611 magId "2080746611" @default.
- W2080746611 workType "article" @default.