Matches in SemOpenAlex for { <https://semopenalex.org/work/W3045493035> ?p ?o ?g. }
- W3045493035 endingPage "114028" @default.
- W3045493035 startingPage "114028" @default.
- W3045493035 abstract "We present a first-principles and experimental study of the structural, ferroelectric, and magnetic properties of the potentially multiferroic three-layer Aurivillius compound Bi4TiFeNbO12. This system can be realized by inserting a BiFeO3 formula unit into the two-layer Aurivilius Bi3TiNbO9 matrix. The calculations are performed using the PBEsol exchange–correlation functional within the DFT+U framework. First we search for potential cation site preference by comparing the relative stability of different Fe, Nb and Ti arrangements. We find a preference for the Fe3＋ ions to occupy the inner site within the pseudoperovskite block. This configuration exhibits a band gap of 1.2 eV (UFe=4eV) and ferroelectric and magnetic orders. A value of 66 μC/cm2 is obtained for the spontaneous polarization, which is similar to the one obtained for Bi4Ti3O12 (BIT). The magnetic ground state of this system is characterized by a strong antiferromagnetic coupling between the Fe3＋ ions located in the central layer. By mapping to a Heisenberg model, the superexchange antiferromagnetic coupling between nearest-neighbor Fe3＋ cations is estimated to be J=53 meV. Finally, we synthesize Bi3.25La0.75TiFeNbO12 ceramics by the solid-state reaction method. Their structural, electric and magnetic properties are confronted with the theoretical predictions." @default.
- W3045493035 created "2020-08-03" @default.
- W3045493035 creator A5047119059 @default.
- W3045493035 creator A5047358715 @default.
- W3045493035 creator A5064142289 @default.
- W3045493035 creator A5075655540 @default.
- W3045493035 date "2020-10-01" @default.
- W3045493035 modified "2023-10-13" @default.
- W3045493035 title "Multiferroic properties of three-layer Aurivillius compound Bi<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=d1e150 altimg=si15.svg><mml:msub><mml:mrow /><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:math>TiFeNbO12: A first-principles and experimental study" @default.
- W3045493035 cites W1604073014 @default.
- W3045493035 cites W1633346927 @default.
- W3045493035 cites W1633923485 @default.
- W3045493035 cites W1652239661 @default.
- W3045493035 cites W1969814288 @default.
- W3045493035 cites W1974530381 @default.
- W3045493035 cites W1977066310 @default.
- W3045493035 cites W1978154845 @default.
- W3045493035 cites W1979544533 @default.
- W3045493035 cites W1985523337 @default.
- W3045493035 cites W1986731219 @default.
- W3045493035 cites W1992500334 @default.
- W3045493035 cites W2007395042 @default.
- W3045493035 cites W2009070402 @default.
- W3045493035 cites W2009329640 @default.
- W3045493035 cites W2010046243 @default.
- W3045493035 cites W2012540621 @default.
- W3045493035 cites W2021337930 @default.
- W3045493035 cites W2026336785 @default.
- W3045493035 cites W2033105093 @default.
- W3045493035 cites W2036113194 @default.
- W3045493035 cites W2048913368 @default.
- W3045493035 cites W2050630491 @default.
- W3045493035 cites W2051404891 @default.
- W3045493035 cites W2059451637 @default.
- W3045493035 cites W2064195088 @default.
- W3045493035 cites W2079105963 @default.
- W3045493035 cites W2083222334 @default.
- W3045493035 cites W2084094593 @default.
- W3045493035 cites W2084259538 @default.
- W3045493035 cites W2111639451 @default.
- W3045493035 cites W2160437352 @default.
- W3045493035 cites W2199116574 @default.
- W3045493035 cites W2275896436 @default.
- W3045493035 cites W2344347191 @default.
- W3045493035 cites W2766244547 @default.
- W3045493035 cites W2950891648 @default.
- W3045493035 cites W2953257973 @default.
- W3045493035 doi "https://doi.org/10.1016/j.ssc.2020.114028" @default.
- W3045493035 hasPublicationYear "2020" @default.
- W3045493035 type Work @default.
- W3045493035 sameAs 3045493035 @default.
- W3045493035 citedByCount "3" @default.
- W3045493035 countsByYear W30454930352023 @default.
- W3045493035 crossrefType "journal-article" @default.
- W3045493035 hasAuthorship W3045493035A5047119059 @default.
- W3045493035 hasAuthorship W3045493035A5047358715 @default.
- W3045493035 hasAuthorship W3045493035A5064142289 @default.
- W3045493035 hasAuthorship W3045493035A5075655540 @default.
- W3045493035 hasConcept C121332964 @default.
- W3045493035 hasConcept C123266903 @default.
- W3045493035 hasConcept C133386390 @default.
- W3045493035 hasConcept C14179194 @default.
- W3045493035 hasConcept C147597530 @default.
- W3045493035 hasConcept C152365726 @default.
- W3045493035 hasConcept C155355069 @default.
- W3045493035 hasConcept C184779094 @default.
- W3045493035 hasConcept C185592680 @default.
- W3045493035 hasConcept C192562407 @default.
- W3045493035 hasConcept C26873012 @default.
- W3045493035 hasConcept C2776852539 @default.
- W3045493035 hasConcept C49040817 @default.
- W3045493035 hasConcept C69523127 @default.
- W3045493035 hasConcept C79090758 @default.
- W3045493035 hasConcept C8010536 @default.
- W3045493035 hasConceptScore W3045493035C121332964 @default.
- W3045493035 hasConceptScore W3045493035C123266903 @default.
- W3045493035 hasConceptScore W3045493035C133386390 @default.
- W3045493035 hasConceptScore W3045493035C14179194 @default.
- W3045493035 hasConceptScore W3045493035C147597530 @default.
- W3045493035 hasConceptScore W3045493035C152365726 @default.
- W3045493035 hasConceptScore W3045493035C155355069 @default.
- W3045493035 hasConceptScore W3045493035C184779094 @default.
- W3045493035 hasConceptScore W3045493035C185592680 @default.
- W3045493035 hasConceptScore W3045493035C192562407 @default.
- W3045493035 hasConceptScore W3045493035C26873012 @default.
- W3045493035 hasConceptScore W3045493035C2776852539 @default.
- W3045493035 hasConceptScore W3045493035C49040817 @default.
- W3045493035 hasConceptScore W3045493035C69523127 @default.
- W3045493035 hasConceptScore W3045493035C79090758 @default.
- W3045493035 hasConceptScore W3045493035C8010536 @default.
- W3045493035 hasFunder F4320311364 @default.
- W3045493035 hasFunder F4320321594 @default.
- W3045493035 hasLocation W30454930351 @default.
- W3045493035 hasOpenAccess W3045493035 @default.
- W3045493035 hasPrimaryLocation W30454930351 @default.
- W3045493035 hasRelatedWork W1696046971 @default.
- W3045493035 hasRelatedWork W1971816417 @default.
- W3045493035 hasRelatedWork W2035605491 @default.
