Matches in SemOpenAlex for { <https://semopenalex.org/work/W2603818757> ?p ?o ?g. }
- W2603818757 abstract "To search for new organic multiferroics, we perform a systematic study on the magnetic and ferroelectric properties of fused triapentafulvalene and pentaheptafulvalene oligomers (n = 2-6), by using the density functional theory and quantum Monte Carlo method. It is found that the oligomers without hydrogenation always lie in the spin singlet (nonmagnetic) state, while a selective hydrogenation of carbon atoms at the ends of oligomers can result in the spin triplet (ferromagnetic) state, which is tens to hundreds meV lower than the nonmagnetic state. The formation of ferromagnetism can be attributed to the hydrogenation-induced near degeneracy between the highest occupied and lowest unoccupied molecular orbitals. Simultaneously, there exists a finite dipole moment in the ferromagnetic state, due to the breaking of the inversion symmetry of oligomers. Our results imply that the hydrogenated triapentafulvalene and pentaheptafulvalene oligomers could be promising candidates in the development of room temperature organic multiferroics." @default.
- W2603818757 created "2017-04-07" @default.
- W2603818757 creator A5015906742 @default.
- W2603818757 creator A5031230599 @default.
- W2603818757 creator A5056560037 @default.
- W2603818757 creator A5064322575 @default.
- W2603818757 date "2017-02-24" @default.
- W2603818757 modified "2023-10-17" @default.
- W2603818757 title "Room temperature multiferroicity in hydrogenated triapentafulvalene and pentaheptafulvalene oligomers" @default.
- W2603818757 cites W1134102491 @default.
- W2603818757 cites W1569184091 @default.
- W2603818757 cites W1615884102 @default.
- W2603818757 cites W1868269877 @default.
- W2603818757 cites W1965752441 @default.
- W2603818757 cites W1966750682 @default.
- W2603818757 cites W1971248856 @default.
- W2603818757 cites W1976482384 @default.
- W2603818757 cites W1981368803 @default.
- W2603818757 cites W1993158226 @default.
- W2603818757 cites W1993347262 @default.
- W2603818757 cites W1999615394 @default.
- W2603818757 cites W2007307045 @default.
- W2603818757 cites W2017508339 @default.
- W2603818757 cites W2018076360 @default.
- W2603818757 cites W2024943930 @default.
- W2603818757 cites W2026263791 @default.
- W2603818757 cites W2030605900 @default.
- W2603818757 cites W2031241266 @default.
- W2603818757 cites W2040467804 @default.
- W2603818757 cites W2051023291 @default.
- W2603818757 cites W2055829664 @default.
- W2603818757 cites W2058855532 @default.
- W2603818757 cites W2059122827 @default.
- W2603818757 cites W2059841912 @default.
- W2603818757 cites W2069177212 @default.
- W2603818757 cites W2092673984 @default.
- W2603818757 cites W2092911179 @default.
- W2603818757 cites W2097494668 @default.
- W2603818757 cites W2122349947 @default.
- W2603818757 cites W2130156865 @default.
- W2603818757 cites W2150061993 @default.
- W2603818757 cites W2154310863 @default.
- W2603818757 cites W2155334117 @default.
- W2603818757 cites W2168615836 @default.
- W2603818757 cites W2197804376 @default.
- W2603818757 cites W2313570818 @default.
- W2603818757 cites W2335042428 @default.
- W2603818757 cites W2342260524 @default.
- W2603818757 cites W2408828949 @default.
- W2603818757 cites W2525372591 @default.
- W2603818757 cites W2951601940 @default.
- W2603818757 cites W4211000478 @default.
- W2603818757 doi "https://doi.org/10.1063/1.4976993" @default.
- W2603818757 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28249414" @default.
- W2603818757 hasPublicationYear "2017" @default.
- W2603818757 type Work @default.
- W2603818757 sameAs 2603818757 @default.
- W2603818757 citedByCount "0" @default.
- W2603818757 crossrefType "journal-article" @default.
- W2603818757 hasAuthorship W2603818757A5015906742 @default.
- W2603818757 hasAuthorship W2603818757A5031230599 @default.
- W2603818757 hasAuthorship W2603818757A5056560037 @default.
- W2603818757 hasAuthorship W2603818757A5064322575 @default.
- W2603818757 hasConcept C105795698 @default.
- W2603818757 hasConcept C121332964 @default.
- W2603818757 hasConcept C123266903 @default.
- W2603818757 hasConcept C133386390 @default.
- W2603818757 hasConcept C147597530 @default.
- W2603818757 hasConcept C152365726 @default.
- W2603818757 hasConcept C16016025 @default.
- W2603818757 hasConcept C173523689 @default.
- W2603818757 hasConcept C178790620 @default.
- W2603818757 hasConcept C181500209 @default.
- W2603818757 hasConcept C184779094 @default.
- W2603818757 hasConcept C185592680 @default.
- W2603818757 hasConcept C192562407 @default.
- W2603818757 hasConcept C19499675 @default.
- W2603818757 hasConcept C26873012 @default.
- W2603818757 hasConcept C33062035 @default.
- W2603818757 hasConcept C33923547 @default.
- W2603818757 hasConcept C49040817 @default.
- W2603818757 hasConcept C69523127 @default.
- W2603818757 hasConcept C79090758 @default.
- W2603818757 hasConcept C82217956 @default.
- W2603818757 hasConceptScore W2603818757C105795698 @default.
- W2603818757 hasConceptScore W2603818757C121332964 @default.
- W2603818757 hasConceptScore W2603818757C123266903 @default.
- W2603818757 hasConceptScore W2603818757C133386390 @default.
- W2603818757 hasConceptScore W2603818757C147597530 @default.
- W2603818757 hasConceptScore W2603818757C152365726 @default.
- W2603818757 hasConceptScore W2603818757C16016025 @default.
- W2603818757 hasConceptScore W2603818757C173523689 @default.
- W2603818757 hasConceptScore W2603818757C178790620 @default.
- W2603818757 hasConceptScore W2603818757C181500209 @default.
- W2603818757 hasConceptScore W2603818757C184779094 @default.
- W2603818757 hasConceptScore W2603818757C185592680 @default.
- W2603818757 hasConceptScore W2603818757C192562407 @default.
- W2603818757 hasConceptScore W2603818757C19499675 @default.
- W2603818757 hasConceptScore W2603818757C26873012 @default.
- W2603818757 hasConceptScore W2603818757C33062035 @default.