Matches in SemOpenAlex for { <https://semopenalex.org/work/W2894651054> ?p ?o ?g. }
- W2894651054 endingPage "12919" @default.
- W2894651054 startingPage "12908" @default.
- W2894651054 abstract "The intermetallic phase FeGa3 belongs to the rare examples of substances with transition metals where semiconducting behavior is found. The necessary electron count of 17 ve/fu can be formally derived from eight Fe-Ga and one Fe-Fe two-center-two-electron bond. The situation is reminiscent of the well-known Fe2(CO)9 scenario, where a direct Fe-Fe two-center-two-electron bond was shown to not be present. Fe-Fe interaction in FeGa3 and its substitution variants represents the crucial point for explanation of electronic, thermal transport, and optical properties of this material. Chemical bonding analysis in position space of FeGa3 and Fe2(CO)9 on the basis of the topology of the electron localizability indicator distribution, QTAIM atoms, two- and three-center delocalization indices, domain natural orbitals, IQA analysis, and an evaluation of the Fe-Fe dissociation energy yields a complete picture of the partially compensated Fe-Fe bond, which is nevertheless strong enough to be of decisive importance. Structural reinvestigation of differently synthesized single crystals leads to the composition Fe1+ xGa3 (0 ≤ x ≤ 0.018), where the additional Fe atoms are predicted from DFT/PBE calculations to yield a magnetic moment of about 2 μB/Fe2 atom and metallic in-gap states. Accompanying magnetization and ESR measurements are consistent with this picture." @default.
- W2894651054 created "2018-10-12" @default.
- W2894651054 creator A5014055851 @default.
- W2894651054 creator A5016388011 @default.
- W2894651054 creator A5020604629 @default.
- W2894651054 creator A5022823653 @default.
- W2894651054 creator A5044233462 @default.
- W2894651054 creator A5056864765 @default.
- W2894651054 creator A5072072076 @default.
- W2894651054 creator A5073651945 @default.
- W2894651054 date "2018-10-03" @default.
- W2894651054 modified "2023-10-18" @default.
- W2894651054 title "On Fe–Fe Dumbbells in the Ideal and Real Structures of FeGa<sub>3</sub>" @default.
- W2894651054 cites W150681696 @default.
- W2894651054 cites W1512991542 @default.
- W2894651054 cites W1630162220 @default.
- W2894651054 cites W1963989263 @default.
- W2894651054 cites W1981368803 @default.
- W2894651054 cites W1984053749 @default.
- W2894651054 cites W1993989160 @default.
- W2894651054 cites W1994221177 @default.
- W2894651054 cites W2001905527 @default.
- W2894651054 cites W2002958890 @default.
- W2894651054 cites W2006166770 @default.
- W2894651054 cites W2013018355 @default.
- W2894651054 cites W2022494745 @default.
- W2894651054 cites W2024827486 @default.
- W2894651054 cites W2033709164 @default.
- W2894651054 cites W2041781713 @default.
- W2894651054 cites W2047631384 @default.
- W2894651054 cites W2053179922 @default.
- W2894651054 cites W2062859725 @default.
- W2894651054 cites W2064583024 @default.
- W2894651054 cites W2087984561 @default.
- W2894651054 cites W2088043604 @default.
- W2894651054 cites W2117211826 @default.
- W2894651054 cites W2118602637 @default.
- W2894651054 cites W2129425670 @default.
- W2894651054 cites W2143981217 @default.
- W2894651054 cites W2148424525 @default.
- W2894651054 cites W2156257115 @default.
- W2894651054 cites W2293122811 @default.
- W2894651054 cites W2321988825 @default.
- W2894651054 cites W233343036 @default.
- W2894651054 cites W2468183135 @default.
- W2894651054 cites W2592515119 @default.
- W2894651054 cites W2759328656 @default.
- W2894651054 cites W2770177110 @default.
- W2894651054 cites W2797138473 @default.
- W2894651054 cites W2808129046 @default.
- W2894651054 cites W2917745643 @default.
- W2894651054 cites W2949874981 @default.
- W2894651054 cites W2963839724 @default.
- W2894651054 cites W3006865990 @default.
- W2894651054 cites W3009331727 @default.
- W2894651054 cites W4233926789 @default.
- W2894651054 cites W4233956360 @default.
- W2894651054 doi "https://doi.org/10.1021/acs.inorgchem.8b02094" @default.
- W2894651054 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30281292" @default.
- W2894651054 hasPublicationYear "2018" @default.
- W2894651054 type Work @default.
- W2894651054 sameAs 2894651054 @default.
- W2894651054 citedByCount "29" @default.
- W2894651054 countsByYear W28946510542019 @default.
- W2894651054 countsByYear W28946510542020 @default.
- W2894651054 countsByYear W28946510542021 @default.
- W2894651054 countsByYear W28946510542022 @default.
- W2894651054 countsByYear W28946510542023 @default.
- W2894651054 crossrefType "journal-article" @default.
- W2894651054 hasAuthorship W2894651054A5014055851 @default.
- W2894651054 hasAuthorship W2894651054A5016388011 @default.
- W2894651054 hasAuthorship W2894651054A5020604629 @default.
- W2894651054 hasAuthorship W2894651054A5022823653 @default.
- W2894651054 hasAuthorship W2894651054A5044233462 @default.
- W2894651054 hasAuthorship W2894651054A5056864765 @default.
- W2894651054 hasAuthorship W2894651054A5072072076 @default.
- W2894651054 hasAuthorship W2894651054A5073651945 @default.
- W2894651054 hasConcept C115260700 @default.
- W2894651054 hasConcept C121332964 @default.
- W2894651054 hasConcept C147120987 @default.
- W2894651054 hasConcept C149635348 @default.
- W2894651054 hasConcept C159467904 @default.
- W2894651054 hasConcept C178213299 @default.
- W2894651054 hasConcept C178790620 @default.
- W2894651054 hasConcept C185592680 @default.
- W2894651054 hasConcept C189394030 @default.
- W2894651054 hasConcept C198179714 @default.
- W2894651054 hasConcept C26873012 @default.
- W2894651054 hasConcept C27501479 @default.
- W2894651054 hasConcept C2780026712 @default.
- W2894651054 hasConcept C32546565 @default.
- W2894651054 hasConcept C41008148 @default.
- W2894651054 hasConcept C544153396 @default.
- W2894651054 hasConcept C54553102 @default.
- W2894651054 hasConcept C58312451 @default.
- W2894651054 hasConcept C62520636 @default.
- W2894651054 hasConcept C70050531 @default.
- W2894651054 hasConcept C8010536 @default.