FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2795871192> ?p ?o ?g. }

• W2795871192 endingPage "4447" @default.
• W2795871192 startingPage "4441" @default.
• W2795871192 abstract "We perform detailed investigations on the electronic and magnetic properties in double perovskites Ba2MOsO6 (M = K, Ca, and Sc), with formal valences of Os7+ (5d1), Os6+ (5d2), and Os5+ (5d3), respectively, using first-principles calculations. To understand the effects of Coulomb interaction ( U), spin-orbit coupling (SOC), and magnetic order, we carry out different calculations within density functional theory. It is shown that SOC and U energy not only provide the magneto crystalline anisotropies but also significantly affect the size of the local moments and the magnetic structures in these compounds. The electronic configuration of 5d1 and 5d2 of Os in Ba2MOsO6 (M = K and Ca) have the metal-insulator transition (MIT) as the direction of the local moment changes, while the electronic structure of half-filled 5d3 orbitals of Os in Ba2ScOsO6 is insulator, independent of the local moment direction. Our results indicate that both SOC and U interactions are necessary in enlarging the band gaps and putting these compounds into the MIT correlated insulators." @default.
• W2795871192 created "2018-04-13" @default.
• W2795871192 creator A5017353282 @default.
• W2795871192 creator A5053113724 @default.
• W2795871192 creator A5074843339 @default.
• W2795871192 date "2018-04-03" @default.
• W2795871192 modified "2023-10-16" @default.
• W2795871192 title "Electronic and Magnetic Properties of 5d¹, 5d², and 5d³ Double Perovskites Ba₂MOsO₆ (M = K, Ca, and Sc): Ab Initio Study" @default.
• W2795871192 cites W1480572128 @default.
• W2795871192 cites W1620476479 @default.
• W2795871192 cites W1659011814 @default.
• W2795871192 cites W1665839377 @default.
• W2795871192 cites W1680067875 @default.
• W2795871192 cites W1897708580 @default.
• W2795871192 cites W1966234142 @default.
• W2795871192 cites W1966971072 @default.
• W2795871192 cites W1975115087 @default.
• W2795871192 cites W1981368803 @default.
• W2795871192 cites W1984017026 @default.
• W2795871192 cites W1988864272 @default.
• W2795871192 cites W2016810921 @default.
• W2795871192 cites W2052597426 @default.
• W2795871192 cites W2057452929 @default.
• W2795871192 cites W2060418682 @default.
• W2795871192 cites W2063216299 @default.
• W2795871192 cites W2071395707 @default.
• W2795871192 cites W2084399098 @default.
• W2795871192 cites W2090961768 @default.
• W2795871192 cites W2196400989 @default.
• W2795871192 cites W2313224761 @default.
• W2795871192 cites W2434396586 @default.
• W2795871192 cites W2514318949 @default.
• W2795871192 cites W2564362180 @default.
• W2795871192 cites W2740888404 @default.
• W2795871192 cites W2998999357 @default.
• W2795871192 cites W3099821745 @default.
• W2795871192 cites W3099927674 @default.
• W2795871192 cites W3125690844 @default.
• W2795871192 doi "https://doi.org/10.1021/acs.inorgchem.8b00085" @default.
• W2795871192 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29611705" @default.
• W2795871192 hasPublicationYear "2018" @default.
• W2795871192 type Work @default.
• W2795871192 sameAs 2795871192 @default.
• W2795871192 citedByCount "5" @default.
• W2795871192 countsByYear W27958711922019 @default.
• W2795871192 countsByYear W27958711922020 @default.
• W2795871192 countsByYear W27958711922022 @default.
• W2795871192 crossrefType "journal-article" @default.
• W2795871192 hasAuthorship W2795871192A5017353282 @default.
• W2795871192 hasAuthorship W2795871192A5053113724 @default.
• W2795871192 hasAuthorship W2795871192A5074843339 @default.
• W2795871192 hasConcept C121332964 @default.
• W2795871192 hasConcept C125469278 @default.
• W2795871192 hasConcept C127413603 @default.
• W2795871192 hasConcept C131584629 @default.
• W2795871192 hasConcept C147120987 @default.
• W2795871192 hasConcept C147597530 @default.
• W2795871192 hasConcept C152365726 @default.
• W2795871192 hasConcept C184779094 @default.
• W2795871192 hasConcept C185544564 @default.
• W2795871192 hasConcept C185592680 @default.
• W2795871192 hasConcept C189394030 @default.
• W2795871192 hasConcept C26873012 @default.
• W2795871192 hasConcept C54553102 @default.
• W2795871192 hasConcept C78519656 @default.
• W2795871192 hasConcept C8010536 @default.
• W2795871192 hasConcept C86025842 @default.
• W2795871192 hasConcept C9342510 @default.
• W2795871192 hasConceptScore W2795871192C121332964 @default.
• W2795871192 hasConceptScore W2795871192C125469278 @default.
• W2795871192 hasConceptScore W2795871192C127413603 @default.
• W2795871192 hasConceptScore W2795871192C131584629 @default.
• W2795871192 hasConceptScore W2795871192C147120987 @default.
• W2795871192 hasConceptScore W2795871192C147597530 @default.
• W2795871192 hasConceptScore W2795871192C152365726 @default.
• W2795871192 hasConceptScore W2795871192C184779094 @default.
• W2795871192 hasConceptScore W2795871192C185544564 @default.
• W2795871192 hasConceptScore W2795871192C185592680 @default.
• W2795871192 hasConceptScore W2795871192C189394030 @default.
• W2795871192 hasConceptScore W2795871192C26873012 @default.
• W2795871192 hasConceptScore W2795871192C54553102 @default.
• W2795871192 hasConceptScore W2795871192C78519656 @default.
• W2795871192 hasConceptScore W2795871192C8010536 @default.
• W2795871192 hasConceptScore W2795871192C86025842 @default.
• W2795871192 hasConceptScore W2795871192C9342510 @default.
• W2795871192 hasFunder F4320321001 @default.
• W2795871192 hasFunder F4320323970 @default.
• W2795871192 hasIssue "8" @default.
• W2795871192 hasLocation W27958711921 @default.
• W2795871192 hasLocation W27958711922 @default.
• W2795871192 hasOpenAccess W2795871192 @default.
• W2795871192 hasPrimaryLocation W27958711921 @default.
• W2795871192 hasRelatedWork W1498277358 @default.
• W2795871192 hasRelatedWork W2012591251 @default.
• W2795871192 hasRelatedWork W2047999771 @default.
• W2795871192 hasRelatedWork W2062238837 @default.
• W2795871192 hasRelatedWork W2378562756 @default.
• W2795871192 hasRelatedWork W2514687628 @default.

• next