Matches in SemOpenAlex for { <https://semopenalex.org/work/W2008455510> ?p ?o ?g. }
- W2008455510 endingPage "307" @default.
- W2008455510 startingPage "301" @default.
- W2008455510 abstract "The actinide oxide UO2 is studied using the GGA + U method combined with monitoring of the orbital occupation matrices to avoid erroneous metastable states. The need to ensure strict convergence of the ground state energy with basis set energy cut-off is demonstrated, and a ground state is determined with a highly isotropic unit cell. Using this ground state the elastic constants and phonon modes of UO2 are calculated and found to be in excellent agreement with experimentally determined values. Peaks observed in the experimental far-infrared response spectra are reproduced, and related to the vibrational modes of the heavy atoms in a static oxygen sub-lattice." @default.
- W2008455510 created "2016-06-24" @default.
- W2008455510 creator A5055402015 @default.
- W2008455510 date "2011-05-01" @default.
- W2008455510 modified "2023-10-16" @default.
- W2008455510 title "First principles calculation of the elastic constants and phonon modes of UO2 using GGA + U with orbital occupancy control" @default.
- W2008455510 cites W1967610004 @default.
- W2008455510 cites W1968044143 @default.
- W2008455510 cites W1968194492 @default.
- W2008455510 cites W1969790691 @default.
- W2008455510 cites W1971182549 @default.
- W2008455510 cites W1977713189 @default.
- W2008455510 cites W1979544533 @default.
- W2008455510 cites W1980173566 @default.
- W2008455510 cites W1986731219 @default.
- W2008455510 cites W1988762313 @default.
- W2008455510 cites W1989203892 @default.
- W2008455510 cites W1991661795 @default.
- W2008455510 cites W1993254585 @default.
- W2008455510 cites W1996276876 @default.
- W2008455510 cites W1997718320 @default.
- W2008455510 cites W2007245715 @default.
- W2008455510 cites W2008165554 @default.
- W2008455510 cites W2008720315 @default.
- W2008455510 cites W2008848214 @default.
- W2008455510 cites W2010135423 @default.
- W2008455510 cites W2011713148 @default.
- W2008455510 cites W2014345528 @default.
- W2008455510 cites W2014970025 @default.
- W2008455510 cites W2020623642 @default.
- W2008455510 cites W2028334081 @default.
- W2008455510 cites W2032330181 @default.
- W2008455510 cites W2036113194 @default.
- W2008455510 cites W2036334303 @default.
- W2008455510 cites W2038533471 @default.
- W2008455510 cites W2042330381 @default.
- W2008455510 cites W2048900050 @default.
- W2008455510 cites W2049079467 @default.
- W2008455510 cites W2050729144 @default.
- W2008455510 cites W2054526958 @default.
- W2008455510 cites W2058150176 @default.
- W2008455510 cites W2058829404 @default.
- W2008455510 cites W2060631563 @default.
- W2008455510 cites W2062525677 @default.
- W2008455510 cites W2066548531 @default.
- W2008455510 cites W2073656185 @default.
- W2008455510 cites W2076985090 @default.
- W2008455510 cites W2079105963 @default.
- W2008455510 cites W2079451335 @default.
- W2008455510 cites W2080636867 @default.
- W2008455510 cites W2083222334 @default.
- W2008455510 cites W2087698390 @default.
- W2008455510 cites W2091622814 @default.
- W2008455510 cites W2093934218 @default.
- W2008455510 cites W2098432400 @default.
- W2008455510 cites W2121444868 @default.
- W2008455510 cites W2125627182 @default.
- W2008455510 cites W2130874047 @default.
- W2008455510 cites W2131782789 @default.
- W2008455510 cites W2140870765 @default.
- W2008455510 cites W2277921262 @default.
- W2008455510 cites W2397106313 @default.
- W2008455510 cites W3015560704 @default.
- W2008455510 cites W3206606417 @default.
- W2008455510 cites W4252861073 @default.
- W2008455510 doi "https://doi.org/10.1016/j.jnucmat.2011.03.012" @default.
- W2008455510 hasPublicationYear "2011" @default.
- W2008455510 type Work @default.
- W2008455510 sameAs 2008455510 @default.
- W2008455510 citedByCount "31" @default.
- W2008455510 countsByYear W20084555102012 @default.
- W2008455510 countsByYear W20084555102013 @default.
- W2008455510 countsByYear W20084555102014 @default.
- W2008455510 countsByYear W20084555102015 @default.
- W2008455510 countsByYear W20084555102016 @default.
- W2008455510 countsByYear W20084555102018 @default.
- W2008455510 countsByYear W20084555102019 @default.
- W2008455510 countsByYear W20084555102020 @default.
- W2008455510 countsByYear W20084555102021 @default.
- W2008455510 countsByYear W20084555102022 @default.
- W2008455510 countsByYear W20084555102023 @default.
- W2008455510 crossrefType "journal-article" @default.
- W2008455510 hasAuthorship W2008455510A5055402015 @default.
- W2008455510 hasConcept C121332964 @default.
- W2008455510 hasConcept C147597530 @default.
- W2008455510 hasConcept C147724859 @default.
- W2008455510 hasConcept C152365726 @default.
- W2008455510 hasConcept C178790620 @default.
- W2008455510 hasConcept C184050105 @default.
- W2008455510 hasConcept C184779094 @default.
- W2008455510 hasConcept C185592680 @default.
- W2008455510 hasConcept C24123453 @default.
- W2008455510 hasConcept C24169881 @default.
- W2008455510 hasConcept C26873012 @default.
- W2008455510 hasConcept C32909587 @default.
- W2008455510 hasConcept C41999313 @default.
- W2008455510 hasConcept C62520636 @default.
- W2008455510 hasConcept C65956243 @default.