FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2892200000> ?p ?o ?g. }

• W2892200000 endingPage "1732" @default.
• W2892200000 startingPage "1732" @default.
• W2892200000 abstract "The intermetallic compound Fe 2 AlTi (alternatively Fe 2 TiAl) is an important phase in the ternary Fe-Al-Ti phase diagram. Previous theoretical studies showed a large discrepancy of approximately an order of magnitude between the ab initio computed magnetic moments and the experimentally measured ones. To unravel the source of this discrepancy, we analyze how various mechanisms present in realistic materials such as residual strain effects or deviations from stoichiometry affect magnetism. Since in spin-unconstrained calculations the system always evolves to the spin configuration which represents a local or global minimum in the total energy surface, finite temperature spin effects are not well described. We therefore turn the investigation around and use constrained spin calculations, fixing the global magnetic moment. This approach provides direct insight into local and global energy minima (reflecting metastable and stable spin phases) as well as the curvature of the energy surface, which correlates with the magnetic entropy and thus the magnetic configuration space accessible at finite temperatures. Based on this approach, we show that deviations from stoichiometry have a huge impact on the local magnetic moment and can explain the experimentally observed low magnetic moments." @default.
• W2892200000 created "2018-09-27" @default.
• W2892200000 creator A5019526099 @default.
• W2892200000 creator A5021450817 @default.
• W2892200000 creator A5026871417 @default.
• W2892200000 creator A5043012349 @default.
• W2892200000 creator A5047496331 @default.
• W2892200000 creator A5047637055 @default.
• W2892200000 creator A5075891418 @default.
• W2892200000 creator A5088298980 @default.
• W2892200000 date "2018-09-14" @default.
• W2892200000 modified "2023-10-18" @default.
• W2892200000 title "Origin of the Low Magnetic Moment in Fe2AlTi: An Ab Initio Study" @default.
• W2892200000 cites W1498012076 @default.
• W2892200000 cites W1967303306 @default.
• W2892200000 cites W1968967162 @default.
• W2892200000 cites W1970059749 @default.
• W2892200000 cites W1970127494 @default.
• W2892200000 cites W1973687014 @default.
• W2892200000 cites W1979544533 @default.
• W2892200000 cites W1994094200 @default.
• W2892200000 cites W1997899449 @default.
• W2892200000 cites W2001535108 @default.
• W2892200000 cites W2003679158 @default.
• W2892200000 cites W2010985320 @default.
• W2892200000 cites W2021984820 @default.
• W2892200000 cites W2025799889 @default.
• W2892200000 cites W2028056984 @default.
• W2892200000 cites W2030976617 @default.
• W2892200000 cites W2038533471 @default.
• W2892200000 cites W2040940799 @default.
• W2892200000 cites W2048266496 @default.
• W2892200000 cites W2049079467 @default.
• W2892200000 cites W2049247645 @default.
• W2892200000 cites W2057022583 @default.
• W2892200000 cites W2070059498 @default.
• W2892200000 cites W2076204614 @default.
• W2892200000 cites W2079105963 @default.
• W2892200000 cites W2083222334 @default.
• W2892200000 cites W2084185111 @default.
• W2892200000 cites W2084574285 @default.
• W2892200000 cites W2085621442 @default.
• W2892200000 cites W2086089221 @default.
• W2892200000 cites W2091968350 @default.
• W2892200000 cites W2094543524 @default.
• W2892200000 cites W2127541664 @default.
• W2892200000 cites W2134626327 @default.
• W2892200000 cites W2150555695 @default.
• W2892200000 cites W2230728100 @default.
• W2892200000 cites W2283521443 @default.
• W2892200000 cites W2291695971 @default.
• W2892200000 cites W2334878734 @default.
• W2892200000 cites W2565522236 @default.
• W2892200000 cites W4231021956 @default.
• W2892200000 cites W4232436751 @default.
• W2892200000 cites W4255985896 @default.
• W2892200000 doi "https://doi.org/10.3390/ma11091732" @default.
• W2892200000 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6164650" @default.
• W2892200000 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30223499" @default.
• W2892200000 hasPublicationYear "2018" @default.
• W2892200000 type Work @default.
• W2892200000 sameAs 2892200000 @default.
• W2892200000 citedByCount "17" @default.
• W2892200000 countsByYear W28922000002018 @default.
• W2892200000 countsByYear W28922000002019 @default.
• W2892200000 countsByYear W28922000002020 @default.
• W2892200000 countsByYear W28922000002021 @default.
• W2892200000 countsByYear W28922000002022 @default.
• W2892200000 countsByYear W28922000002023 @default.
• W2892200000 crossrefType "journal-article" @default.
• W2892200000 hasAuthorship W2892200000A5019526099 @default.
• W2892200000 hasAuthorship W2892200000A5021450817 @default.
• W2892200000 hasAuthorship W2892200000A5026871417 @default.
• W2892200000 hasAuthorship W2892200000A5043012349 @default.
• W2892200000 hasAuthorship W2892200000A5047496331 @default.
• W2892200000 hasAuthorship W2892200000A5047637055 @default.
• W2892200000 hasAuthorship W2892200000A5075891418 @default.
• W2892200000 hasAuthorship W2892200000A5088298980 @default.
• W2892200000 hasBestOaLocation W28922000001 @default.
• W2892200000 hasConcept C121332964 @default.
• W2892200000 hasConcept C183971685 @default.
• W2892200000 hasConcept C192562407 @default.
• W2892200000 hasConcept C197162081 @default.
• W2892200000 hasConcept C26873012 @default.
• W2892200000 hasConcept C2781442258 @default.
• W2892200000 hasConcept C32909587 @default.
• W2892200000 hasConcept C54553102 @default.
• W2892200000 hasConcept C62520636 @default.
• W2892200000 hasConcept C89464430 @default.
• W2892200000 hasConceptScore W2892200000C121332964 @default.
• W2892200000 hasConceptScore W2892200000C183971685 @default.
• W2892200000 hasConceptScore W2892200000C192562407 @default.
• W2892200000 hasConceptScore W2892200000C197162081 @default.
• W2892200000 hasConceptScore W2892200000C26873012 @default.
• W2892200000 hasConceptScore W2892200000C2781442258 @default.
• W2892200000 hasConceptScore W2892200000C32909587 @default.
• W2892200000 hasConceptScore W2892200000C54553102 @default.
• W2892200000 hasConceptScore W2892200000C62520636 @default.

• next