FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2897869830> ?p ?o ?g. }

• W2897869830 endingPage "1128" @default.
• W2897869830 startingPage "1117" @default.
• W2897869830 abstract "In this work the effects of defects (oxygen vacancies, cationic inversion) on the structural, electronic and the magnetic response of the spinel ZnFe2O4 (ZFO) are studied by using a density functional theory (DFT) based ab initio method (the Full-Potential Linearized Augmented Plane Waves plus Local Orbitals, LAPW+lo) on the framework of the Generalized Gradient Approximation plus U (GGA+U) level. The changes induced by the defects in the hyperfine interactions at the Fe sites of the structure are also presented. In order to discuss the magnetic ordering and the electronic structure of the system we considered different spin arrangements. We found that, similar to the normal and pristine case, reduced and partially inverted ZFO presents an energy landscape characterized by a large number of metastable states. Our calculations successfully describe the hyperfine properties (isomer shift, magnetic hyperfine field and quadrupole splitting) at the Fe sites that are seen by Mössbauer Spectrocopy (MS) at 4 and 300 K, enabling us to characterize the local structure around Fe atoms. Our LAPW+lo predictions also demonstrate the relevance of both oxygen vacancies and antisites (cationic inversion) in the formation of local ferromagnetic coupling between Fe ions, giving rise to a ferrimagnetic ordering in an otherwise antiferromagnetic compound. This results support conclusions based in experimental results obtained in x-ray magnetic circular dichroism and magnetization measurements performed on zinc ferrites with different cation distributions and oxygen vacancy concentrations reported in the literature." @default.
• W2897869830 created "2018-10-26" @default.
• W2897869830 creator A5000903735 @default.
• W2897869830 creator A5004819719 @default.
• W2897869830 creator A5043535307 @default.
• W2897869830 creator A5068003415 @default.
• W2897869830 date "2019-02-01" @default.
• W2897869830 modified "2023-10-14" @default.
• W2897869830 title "Ab initio study of the role of defects on the magnetic response and the structural, electronic and hyperfine properties of ZnFe2O4" @default.
• W2897869830 cites W1545595933 @default.
• W2897869830 cites W1551221476 @default.
• W2897869830 cites W1603182156 @default.
• W2897869830 cites W1969515236 @default.
• W2897869830 cites W1971912334 @default.
• W2897869830 cites W1979817820 @default.
• W2897869830 cites W1980498928 @default.
• W2897869830 cites W1980990112 @default.
• W2897869830 cites W1984017026 @default.
• W2897869830 cites W1988616429 @default.
• W2897869830 cites W1991388146 @default.
• W2897869830 cites W1993936883 @default.
• W2897869830 cites W1995882499 @default.
• W2897869830 cites W1996705216 @default.
• W2897869830 cites W2002956672 @default.
• W2897869830 cites W2004015584 @default.
• W2897869830 cites W2005502515 @default.
• W2897869830 cites W2019993284 @default.
• W2897869830 cites W2027786282 @default.
• W2897869830 cites W2028116414 @default.
• W2897869830 cites W2030436023 @default.
• W2897869830 cites W2030976617 @default.
• W2897869830 cites W2037525570 @default.
• W2897869830 cites W2039961238 @default.
• W2897869830 cites W2041200382 @default.
• W2897869830 cites W2045135379 @default.
• W2897869830 cites W2048835561 @default.
• W2897869830 cites W2052597426 @default.
• W2897869830 cites W2053048701 @default.
• W2897869830 cites W2056258991 @default.
• W2897869830 cites W2057896340 @default.
• W2897869830 cites W2061992058 @default.
• W2897869830 cites W2064693742 @default.
• W2897869830 cites W2066297717 @default.
• W2897869830 cites W2066729859 @default.
• W2897869830 cites W2071056016 @default.
• W2897869830 cites W2072641366 @default.
• W2897869830 cites W2083240200 @default.
• W2897869830 cites W2090270233 @default.
• W2897869830 cites W2094721324 @default.
• W2897869830 cites W2095489637 @default.
• W2897869830 cites W2158437509 @default.
• W2897869830 cites W2180864565 @default.
• W2897869830 cites W2230728100 @default.
• W2897869830 cites W2279232579 @default.
• W2897869830 cites W2315706255 @default.
• W2897869830 cites W2325883053 @default.
• W2897869830 cites W2326070870 @default.
• W2897869830 cites W2343853293 @default.
• W2897869830 cites W2522772869 @default.
• W2897869830 cites W2557131144 @default.
• W2897869830 cites W2767489726 @default.
• W2897869830 cites W2792470559 @default.
• W2897869830 cites W2797796616 @default.
• W2897869830 doi "https://doi.org/10.1016/j.jallcom.2018.10.082" @default.
• W2897869830 hasPublicationYear "2019" @default.
• W2897869830 type Work @default.
• W2897869830 sameAs 2897869830 @default.
• W2897869830 citedByCount "22" @default.
• W2897869830 countsByYear W28978698302018 @default.
• W2897869830 countsByYear W28978698302019 @default.
• W2897869830 countsByYear W28978698302020 @default.
• W2897869830 countsByYear W28978698302021 @default.
• W2897869830 countsByYear W28978698302022 @default.
• W2897869830 countsByYear W28978698302023 @default.
• W2897869830 crossrefType "journal-article" @default.
• W2897869830 hasAuthorship W2897869830A5000903735 @default.
• W2897869830 hasAuthorship W2897869830A5004819719 @default.
• W2897869830 hasAuthorship W2897869830A5043535307 @default.
• W2897869830 hasAuthorship W2897869830A5068003415 @default.
• W2897869830 hasBestOaLocation W28978698302 @default.
• W2897869830 hasConcept C115260700 @default.
• W2897869830 hasConcept C121332964 @default.
• W2897869830 hasConcept C131538251 @default.
• W2897869830 hasConcept C147597530 @default.
• W2897869830 hasConcept C152365726 @default.
• W2897869830 hasConcept C155355069 @default.
• W2897869830 hasConcept C178790620 @default.
• W2897869830 hasConcept C183971685 @default.
• W2897869830 hasConcept C184779094 @default.
• W2897869830 hasConcept C185592680 @default.
• W2897869830 hasConcept C192562407 @default.
• W2897869830 hasConcept C26873012 @default.
• W2897869830 hasConcept C2781442258 @default.
• W2897869830 hasConcept C32546565 @default.
• W2897869830 hasConcept C32909587 @default.
• W2897869830 hasConcept C62520636 @default.
• W2897869830 hasConcept C779372 @default.
• W2897869830 hasConcept C82217956 @default.

• next