FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2051211875> ?p ?o ?g. }

• W2051211875 endingPage "28" @default.
• W2051211875 startingPage "23" @default.
• W2051211875 abstract "The electronic structure and magnetic properties of LiFeAs and FeSe have been studied using hybrid-exchange density functional theory. The total energies for a unit cell in LiFeAs and FeSe with different spin states including non-magnetic and spin-2 are calculated. The spin-2 configuration has the lower energy for both LiFeAs and FeSe. The computed anti-ferromagnetic exchange interactions between spins on the nearest (next nearest) neighbouring Fe atoms in LiFeAs and FeSe are approximately 14 (17) meV and 6 (13) meV, respectively. The total energies of the checkerboard and stripe-type anti-ferromagnetic ordering for LiFeAs and FeSe are compared, yielding that for LiFeAs the checkerboard is lower whereas for FeSe the stripe-type is lower. However, owing to the fact that the exchange interaction of the next nearest neighbour is larger than that of the nearest one, which means that the collinear ordering might be the ground state. These results are in agreement with the previous theoretical calculations and experiments. Especially the calculations for LiFeAs indicate a co-existence of conducting d-bands at the Fermi surface and d-orbital magnetism far below the Fermi surface. The theoretical results presented here might be useful for the experimentalists working on the electronic structure and magnetism of iron-based superconductors." @default.
• W2051211875 created "2016-06-24" @default.
• W2051211875 creator A5006623437 @default.
• W2051211875 date "2013-05-01" @default.
• W2051211875 modified "2023-10-17" @default.
• W2051211875 title "Modelling the electronic structure and magnetic properties of LiFeAs and FeSe using hybrid-exchange density functional theory" @default.
• W2051211875 cites W1480030948 @default.
• W2051211875 cites W1659501886 @default.
• W2051211875 cites W1795529454 @default.
• W2051211875 cites W1889624376 @default.
• W2051211875 cites W1890376071 @default.
• W2051211875 cites W1971212666 @default.
• W2051211875 cites W1981368803 @default.
• W2051211875 cites W1986830809 @default.
• W2051211875 cites W1992974611 @default.
• W2051211875 cites W2001519974 @default.
• W2051211875 cites W2001849978 @default.
• W2051211875 cites W2008423326 @default.
• W2051211875 cites W2011721578 @default.
• W2051211875 cites W2014437371 @default.
• W2051211875 cites W2014945256 @default.
• W2051211875 cites W2022761082 @default.
• W2051211875 cites W2025874087 @default.
• W2051211875 cites W2027101797 @default.
• W2051211875 cites W2030338864 @default.
• W2051211875 cites W2032980114 @default.
• W2051211875 cites W2036113194 @default.
• W2051211875 cites W2042430601 @default.
• W2051211875 cites W2045952721 @default.
• W2051211875 cites W2048168271 @default.
• W2051211875 cites W2053497578 @default.
• W2051211875 cites W2054192735 @default.
• W2051211875 cites W2063447610 @default.
• W2051211875 cites W2065875560 @default.
• W2051211875 cites W2067764773 @default.
• W2051211875 cites W2071622444 @default.
• W2051211875 cites W2075839758 @default.
• W2051211875 cites W2079751966 @default.
• W2051211875 cites W2097029420 @default.
• W2051211875 cites W2123080953 @default.
• W2051211875 cites W2129071327 @default.
• W2051211875 cites W2143981217 @default.
• W2051211875 cites W2164816742 @default.
• W2051211875 cites W2313438704 @default.
• W2051211875 cites W2950779609 @default.
• W2051211875 cites W3023127551 @default.
• W2051211875 cites W3105912515 @default.
• W2051211875 cites W35608605 @default.
• W2051211875 cites W4237738536 @default.
• W2051211875 doi "https://doi.org/10.1016/j.ssc.2013.03.003" @default.
• W2051211875 hasPublicationYear "2013" @default.
• W2051211875 type Work @default.
• W2051211875 sameAs 2051211875 @default.
• W2051211875 citedByCount "5" @default.
• W2051211875 countsByYear W20512118752014 @default.
• W2051211875 countsByYear W20512118752016 @default.
• W2051211875 countsByYear W20512118752019 @default.
• W2051211875 crossrefType "journal-article" @default.
• W2051211875 hasAuthorship W2051211875A5006623437 @default.
• W2051211875 hasBestOaLocation W20512118752 @default.
• W2051211875 hasConcept C121332964 @default.
• W2051211875 hasConcept C147120987 @default.
• W2051211875 hasConcept C152365726 @default.
• W2051211875 hasConcept C192562407 @default.
• W2051211875 hasConcept C195899389 @default.
• W2051211875 hasConcept C197162081 @default.
• W2051211875 hasConcept C201991461 @default.
• W2051211875 hasConcept C26873012 @default.
• W2051211875 hasConcept C2778870898 @default.
• W2051211875 hasConcept C40636707 @default.
• W2051211875 hasConcept C42704618 @default.
• W2051211875 hasConcept C54101563 @default.
• W2051211875 hasConcept C62520636 @default.
• W2051211875 hasConcept C69523127 @default.
• W2051211875 hasConcept C82217956 @default.
• W2051211875 hasConcept C86025842 @default.
• W2051211875 hasConcept C97355855 @default.
• W2051211875 hasConceptScore W2051211875C121332964 @default.
• W2051211875 hasConceptScore W2051211875C147120987 @default.
• W2051211875 hasConceptScore W2051211875C152365726 @default.
• W2051211875 hasConceptScore W2051211875C192562407 @default.
• W2051211875 hasConceptScore W2051211875C195899389 @default.
• W2051211875 hasConceptScore W2051211875C197162081 @default.
• W2051211875 hasConceptScore W2051211875C201991461 @default.
• W2051211875 hasConceptScore W2051211875C26873012 @default.
• W2051211875 hasConceptScore W2051211875C2778870898 @default.
• W2051211875 hasConceptScore W2051211875C40636707 @default.
• W2051211875 hasConceptScore W2051211875C42704618 @default.
• W2051211875 hasConceptScore W2051211875C54101563 @default.
• W2051211875 hasConceptScore W2051211875C62520636 @default.
• W2051211875 hasConceptScore W2051211875C69523127 @default.
• W2051211875 hasConceptScore W2051211875C82217956 @default.
• W2051211875 hasConceptScore W2051211875C86025842 @default.
• W2051211875 hasConceptScore W2051211875C97355855 @default.
• W2051211875 hasLocation W20512118751 @default.
• W2051211875 hasLocation W20512118752 @default.
• W2051211875 hasOpenAccess W2051211875 @default.
• W2051211875 hasPrimaryLocation W20512118751 @default.

• next