FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2334383338> ?p ?o ?g. }

• W2334383338 abstract "Abstract Oxygen plays a critical role in strongly correlated transition metal oxides as crystal field effect is one of the key factors that determine the degree of localization of the valence d/f states. Based on the localization, a set of conventional mechanisms such as Mott-Hubbard, Charge-transfer and Slater were formulated to explain the antiferromagnetic and insulating (AFI) phenomena in many of these correlated systems. From the case study on LiFePO 4 , through density-functional calculations, we demonstrate that none of these mechanisms are strictly applicable to explain the AFI behavior when the transition metal oxides have polyanions such as (PO 4 ) 3− . The symmetry-lowering of the metal-oxygen complex, to stabilize the polyanion, creates an asymmetric crystal field for d/f states. In LiFePO 4 this field creates completely non-degenerate Fe-d states which, with negligible p-d and d-d covalent interactions, become atomically localized to ensure a gap at the Fermi level. Due to large exchange splitting, high spin state is favored and an antiferromagnetic configuration is stabilized. For the prototype LiFePO 4 , independent electron approximation is good enough to obtain the AFI ground state. Inclusion of additional correlation measures like Hubbard U simply amplifies the gap and therefore LiFePO 4 can be preferably called as weakly coupled Mott insulator." @default.
• W2334383338 created "2016-06-24" @default.
• W2334383338 creator A5000182570 @default.
• W2334383338 creator A5067925954 @default.
• W2334383338 date "2016-01-21" @default.
• W2334383338 modified "2023-09-25" @default.
• W2334383338 title "Unconventional Magnetism and Band Gap Formation in LiFePO4: Consequence of Polyanion Induced Non-planarity" @default.
• W2334383338 cites W101015286 @default.
• W2334383338 cites W1485300768 @default.
• W2334383338 cites W1538170051 @default.
• W2334383338 cites W1963899178 @default.
• W2334383338 cites W1966156734 @default.
• W2334383338 cites W1970822797 @default.
• W2334383338 cites W1971999416 @default.
• W2334383338 cites W1972455880 @default.
• W2334383338 cites W1972540241 @default.
• W2334383338 cites W1974699175 @default.
• W2334383338 cites W1981368803 @default.
• W2334383338 cites W1990150358 @default.
• W2334383338 cites W1998674391 @default.
• W2334383338 cites W2014933421 @default.
• W2334383338 cites W2018868104 @default.
• W2334383338 cites W2021172010 @default.
• W2334383338 cites W2025161809 @default.
• W2334383338 cites W2039717041 @default.
• W2334383338 cites W2045952721 @default.
• W2334383338 cites W2046726365 @default.
• W2334383338 cites W2055780213 @default.
• W2334383338 cites W2055944332 @default.
• W2334383338 cites W2057318252 @default.
• W2334383338 cites W2059088645 @default.
• W2334383338 cites W2062610452 @default.
• W2334383338 cites W2068133180 @default.
• W2334383338 cites W2073665258 @default.
• W2334383338 cites W2075709661 @default.
• W2334383338 cites W2079338052 @default.
• W2334383338 cites W2084997872 @default.
• W2334383338 cites W2087585288 @default.
• W2334383338 cites W2092706711 @default.
• W2334383338 cites W2097535432 @default.
• W2334383338 cites W2101050475 @default.
• W2334383338 cites W2114911094 @default.
• W2334383338 cites W2120145199 @default.
• W2334383338 cites W2127941413 @default.
• W2334383338 cites W2132221912 @default.
• W2334383338 cites W2137976212 @default.
• W2334383338 cites W2147069536 @default.
• W2334383338 cites W2152510783 @default.
• W2334383338 cites W2312877419 @default.
• W2334383338 cites W2321842629 @default.
• W2334383338 cites W2324127380 @default.
• W2334383338 cites W2962949538 @default.
• W2334383338 cites W99176522 @default.
• W2334383338 doi "https://doi.org/10.1038/srep19573" @default.
• W2334383338 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26791249" @default.
• W2334383338 hasPublicationYear "2016" @default.
• W2334383338 type Work @default.
• W2334383338 sameAs 2334383338 @default.
• W2334383338 citedByCount "20" @default.
• W2334383338 countsByYear W23343833382016 @default.
• W2334383338 countsByYear W23343833382017 @default.
• W2334383338 countsByYear W23343833382018 @default.
• W2334383338 countsByYear W23343833382019 @default.
• W2334383338 countsByYear W23343833382020 @default.
• W2334383338 countsByYear W23343833382021 @default.
• W2334383338 countsByYear W23343833382022 @default.
• W2334383338 countsByYear W23343833382023 @default.
• W2334383338 crossrefType "journal-article" @default.
• W2334383338 hasAuthorship W2334383338A5000182570 @default.
• W2334383338 hasAuthorship W2334383338A5067925954 @default.
• W2334383338 hasBestOaLocation W23343833381 @default.
• W2334383338 hasConcept C106074065 @default.
• W2334383338 hasConcept C121332964 @default.
• W2334383338 hasConcept C136766821 @default.
• W2334383338 hasConcept C147120987 @default.
• W2334383338 hasConcept C155355069 @default.
• W2334383338 hasConcept C159176642 @default.
• W2334383338 hasConcept C168900304 @default.
• W2334383338 hasConcept C181966813 @default.
• W2334383338 hasConcept C188082385 @default.
• W2334383338 hasConcept C192562407 @default.
• W2334383338 hasConcept C197162081 @default.
• W2334383338 hasConcept C198179714 @default.
• W2334383338 hasConcept C26873012 @default.
• W2334383338 hasConcept C35052450 @default.
• W2334383338 hasConcept C40636707 @default.
• W2334383338 hasConcept C54101563 @default.
• W2334383338 hasConcept C62520636 @default.
• W2334383338 hasConcept C69523127 @default.
• W2334383338 hasConcept C70050531 @default.
• W2334383338 hasConcept C72319582 @default.
• W2334383338 hasConcept C86025842 @default.
• W2334383338 hasConceptScore W2334383338C106074065 @default.
• W2334383338 hasConceptScore W2334383338C121332964 @default.
• W2334383338 hasConceptScore W2334383338C136766821 @default.
• W2334383338 hasConceptScore W2334383338C147120987 @default.
• W2334383338 hasConceptScore W2334383338C155355069 @default.
• W2334383338 hasConceptScore W2334383338C159176642 @default.
• W2334383338 hasConceptScore W2334383338C168900304 @default.
• W2334383338 hasConceptScore W2334383338C181966813 @default.

• next