FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2165893510> ?p ?o ?g. }

• W2165893510 endingPage "1346" @default.
• W2165893510 startingPage "1337" @default.
• W2165893510 abstract "The structures, stabilities and magnetic properties of CrXn (X = Na, Rb and Cs; n up to 9) clusters are studied using density functional theory to search for the stable magnetic superatoms. The geometrical optimisations indicate the ground-state structures of CrXn evolve toward a close packed structure with an interior Cr atom surrounded by X atoms as the cluster size increase. Their stabilities are analysed by the relative energy, gain in energy (ΔE(n)) and the highest unoccupied molecular orbital and lowest unoccupied molecular orbital gaps. Furthermore, the magnetic moments of CrXn clusters show an odd–even oscillation. Here, we mainly focus on the CrX7 (X = Na, Rb and Cs) clusters due to the same valence count as the known stable magnetic superatoms VNa8, VCs8 and TiNa9. Although these clusters all have a filled electronic configuration 1S21P6 and large magnetic moment 5 μB, our studies indicate that only CrNa7 is highly stable compared to its nearest neighbours, while CrRb7 and CrCs7 clusters are less stable. This suggests that Cr-doped Na7 is most appropriate for filled electronic configuration and CrNa7 is shown to be a stable magnetic superatom. More interesting, we find CrRb8 and CrCs8 with the filled electronic configuration 1S21P6 have higher stability and large magnetic moment 6 μB in their respective series." @default.
• W2165893510 created "2016-06-24" @default.
• W2165893510 creator A5004173592 @default.
• W2165893510 creator A5006071563 @default.
• W2165893510 creator A5039019960 @default.
• W2165893510 creator A5072918787 @default.
• W2165893510 date "2015-01-06" @default.
• W2165893510 modified "2023-09-23" @default.
• W2165893510 title "Density function study transition metal chromium-doped alkali clusters: the finding of magnetic superatom" @default.
• W2165893510 cites W1556334824 @default.
• W2165893510 cites W1966792574 @default.
• W2165893510 cites W1971275758 @default.
• W2165893510 cites W1971424012 @default.
• W2165893510 cites W1971472669 @default.
• W2165893510 cites W1975708211 @default.
• W2165893510 cites W1981368803 @default.
• W2165893510 cites W1993541795 @default.
• W2165893510 cites W1996722730 @default.
• W2165893510 cites W1998878543 @default.
• W2165893510 cites W1999397307 @default.
• W2165893510 cites W1999744447 @default.
• W2165893510 cites W2004391740 @default.
• W2165893510 cites W2006787354 @default.
• W2165893510 cites W2011691398 @default.
• W2165893510 cites W2013225724 @default.
• W2165893510 cites W2014430923 @default.
• W2165893510 cites W2015516088 @default.
• W2165893510 cites W2016814896 @default.
• W2165893510 cites W2023271753 @default.
• W2165893510 cites W2026992473 @default.
• W2165893510 cites W2030019360 @default.
• W2165893510 cites W2030687437 @default.
• W2165893510 cites W2034736911 @default.
• W2165893510 cites W2036327914 @default.
• W2165893510 cites W2041867788 @default.
• W2165893510 cites W2045334708 @default.
• W2165893510 cites W2046919093 @default.
• W2165893510 cites W2049079467 @default.
• W2165893510 cites W2056319595 @default.
• W2165893510 cites W2059693256 @default.
• W2165893510 cites W2068617439 @default.
• W2165893510 cites W2075338918 @default.
• W2165893510 cites W2096868202 @default.
• W2165893510 cites W2120502169 @default.
• W2165893510 cites W2168578254 @default.
• W2165893510 cites W2329079470 @default.
• W2165893510 cites W947635323 @default.
• W2165893510 doi "https://doi.org/10.1080/00268976.2014.993733" @default.
• W2165893510 hasPublicationYear "2015" @default.
• W2165893510 type Work @default.
• W2165893510 sameAs 2165893510 @default.
• W2165893510 citedByCount "1" @default.
• W2165893510 countsByYear W21658935102021 @default.
• W2165893510 crossrefType "journal-article" @default.
• W2165893510 hasAuthorship W2165893510A5004173592 @default.
• W2165893510 hasAuthorship W2165893510A5006071563 @default.
• W2165893510 hasAuthorship W2165893510A5039019960 @default.
• W2165893510 hasAuthorship W2165893510A5072918787 @default.
• W2165893510 hasConcept C106773901 @default.
• W2165893510 hasConcept C121332964 @default.
• W2165893510 hasConcept C147597530 @default.
• W2165893510 hasConcept C149635348 @default.
• W2165893510 hasConcept C152365726 @default.
• W2165893510 hasConcept C161790260 @default.
• W2165893510 hasConcept C164866538 @default.
• W2165893510 hasConcept C168900304 @default.
• W2165893510 hasConcept C171706072 @default.
• W2165893510 hasConcept C178790620 @default.
• W2165893510 hasConcept C184779094 @default.
• W2165893510 hasConcept C185592680 @default.
• W2165893510 hasConcept C198091228 @default.
• W2165893510 hasConcept C199360897 @default.
• W2165893510 hasConcept C26873012 @default.
• W2165893510 hasConcept C41008148 @default.
• W2165893510 hasConcept C41999313 @default.
• W2165893510 hasConcept C54553102 @default.
• W2165893510 hasConcept C55493867 @default.
• W2165893510 hasConcept C58312451 @default.
• W2165893510 hasConcept C86025842 @default.
• W2165893510 hasConceptScore W2165893510C106773901 @default.
• W2165893510 hasConceptScore W2165893510C121332964 @default.
• W2165893510 hasConceptScore W2165893510C147597530 @default.
• W2165893510 hasConceptScore W2165893510C149635348 @default.
• W2165893510 hasConceptScore W2165893510C152365726 @default.
• W2165893510 hasConceptScore W2165893510C161790260 @default.
• W2165893510 hasConceptScore W2165893510C164866538 @default.
• W2165893510 hasConceptScore W2165893510C168900304 @default.
• W2165893510 hasConceptScore W2165893510C171706072 @default.
• W2165893510 hasConceptScore W2165893510C178790620 @default.
• W2165893510 hasConceptScore W2165893510C184779094 @default.
• W2165893510 hasConceptScore W2165893510C185592680 @default.
• W2165893510 hasConceptScore W2165893510C198091228 @default.
• W2165893510 hasConceptScore W2165893510C199360897 @default.
• W2165893510 hasConceptScore W2165893510C26873012 @default.
• W2165893510 hasConceptScore W2165893510C41008148 @default.
• W2165893510 hasConceptScore W2165893510C41999313 @default.
• W2165893510 hasConceptScore W2165893510C54553102 @default.
• W2165893510 hasConceptScore W2165893510C55493867 @default.

• next