Matches in SemOpenAlex for { <https://semopenalex.org/work/W4283586827> ?p ?o ?g. }
- W4283586827 endingPage "10791" @default.
- W4283586827 startingPage "10772" @default.
- W4283586827 abstract "In order to investigate the structure-dependent correlation strength and occupation number of 4f electrons in cerium monoarsenide (CeAs) with the NaCl-type (B1-type) and CsCl-type (B2-type) structures, respectively, we perform a first principles calculation based on a many-body method merging density functional theory with dynamical mean-field theory (DMFT). Calculation results suggest that with the increase of the lattice constants, the Ce 4f j = 7/2 manifold maintains the insulating behavior, while the j = 5/2 component undergoes the insulating → metallic → insulating and the insulating → metallic transitions, respectively, for B1-type and B2-type structures. Quasi-particle weights demonstrate that the j = 7/2 manifold is in the weakly correlated regime, and the j = 5/2 component transforms from the weakly to moderately correlated state, irrespective of the crystal structure. Ce 4f electrons transform from a slight itinerant state into a localized state for the B1-type structure. A structure-dependent phase diagram of the occupation number suggests that the occupation numbers of individual 4fn (n = 0, 1, 2, 3) configurations and Ce 4f electrons (nf) could be modulated in terms of the crystal structure and/or the lattice constant." @default.
- W4283586827 created "2022-06-28" @default.
- W4283586827 creator A5004519561 @default.
- W4283586827 creator A5071140199 @default.
- W4283586827 creator A5079073730 @default.
- W4283586827 creator A5079171275 @default.
- W4283586827 date "2022-06-26" @default.
- W4283586827 modified "2023-10-14" @default.
- W4283586827 title "Structure-Dependent Phase Diagram of the Occupation Number of 4f Electrons in Cerium Monoarsenide" @default.
- W4283586827 cites W1480595192 @default.
- W4283586827 cites W1491835257 @default.
- W4283586827 cites W1494177362 @default.
- W4283586827 cites W1532754150 @default.
- W4283586827 cites W1604570906 @default.
- W4283586827 cites W1618661676 @default.
- W4283586827 cites W1676926643 @default.
- W4283586827 cites W1877409772 @default.
- W4283586827 cites W1965151802 @default.
- W4283586827 cites W1965514495 @default.
- W4283586827 cites W1966156734 @default.
- W4283586827 cites W1970763792 @default.
- W4283586827 cites W1972426266 @default.
- W4283586827 cites W1977700257 @default.
- W4283586827 cites W1988150410 @default.
- W4283586827 cites W1988582848 @default.
- W4283586827 cites W1994124646 @default.
- W4283586827 cites W1997716033 @default.
- W4283586827 cites W1999392367 @default.
- W4283586827 cites W2000821552 @default.
- W4283586827 cites W2001074388 @default.
- W4283586827 cites W2001369661 @default.
- W4283586827 cites W2001373449 @default.
- W4283586827 cites W2002899448 @default.
- W4283586827 cites W2002995043 @default.
- W4283586827 cites W2004160527 @default.
- W4283586827 cites W2006147097 @default.
- W4283586827 cites W2008169556 @default.
- W4283586827 cites W2008348370 @default.
- W4283586827 cites W2011086989 @default.
- W4283586827 cites W2015880777 @default.
- W4283586827 cites W2017289887 @default.
- W4283586827 cites W2021311561 @default.
- W4283586827 cites W2025439355 @default.
- W4283586827 cites W2030908208 @default.
- W4283586827 cites W2042509934 @default.
- W4283586827 cites W2043233600 @default.
- W4283586827 cites W2043949399 @default.
- W4283586827 cites W2044854403 @default.
- W4283586827 cites W2045979201 @default.
- W4283586827 cites W2053216462 @default.
- W4283586827 cites W2055020889 @default.
- W4283586827 cites W2056307028 @default.
- W4283586827 cites W2056550683 @default.
- W4283586827 cites W2057148447 @default.
- W4283586827 cites W2060283711 @default.
- W4283586827 cites W2061704865 @default.
- W4283586827 cites W2064001587 @default.
- W4283586827 cites W2064845615 @default.
- W4283586827 cites W2067172701 @default.
- W4283586827 cites W2067888523 @default.
- W4283586827 cites W2067920909 @default.
- W4283586827 cites W2068229339 @default.
- W4283586827 cites W2068539538 @default.
- W4283586827 cites W2071343676 @default.
- W4283586827 cites W2071461200 @default.
- W4283586827 cites W2075811722 @default.
- W4283586827 cites W2077676772 @default.
- W4283586827 cites W2077772549 @default.
- W4283586827 cites W2081852214 @default.
- W4283586827 cites W2081853111 @default.
- W4283586827 cites W2083328975 @default.
- W4283586827 cites W2085733436 @default.
- W4283586827 cites W2086005982 @default.
- W4283586827 cites W2088194724 @default.
- W4283586827 cites W2088638894 @default.
- W4283586827 cites W2090123026 @default.
- W4283586827 cites W2091892227 @default.
- W4283586827 cites W2100417876 @default.
- W4283586827 cites W2116003834 @default.
- W4283586827 cites W2116902298 @default.
- W4283586827 cites W2119891305 @default.
- W4283586827 cites W2133013356 @default.
- W4283586827 cites W2150872161 @default.
- W4283586827 cites W2155951885 @default.
- W4283586827 cites W2171976044 @default.
- W4283586827 cites W2327071220 @default.
- W4283586827 cites W2890145261 @default.
- W4283586827 cites W3033348956 @default.
- W4283586827 cites W3038371237 @default.
- W4283586827 cites W3104944740 @default.
- W4283586827 cites W3172123534 @default.
- W4283586827 cites W3197555147 @default.
- W4283586827 doi "https://doi.org/10.1021/acs.jpcc.2c00237" @default.
- W4283586827 hasPublicationYear "2022" @default.
- W4283586827 type Work @default.
- W4283586827 citedByCount "4" @default.
- W4283586827 countsByYear W42835868272022 @default.
- W4283586827 countsByYear W42835868272023 @default.