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  • Occurrence of magnetic order on the basis of plutonium can be captured by LDA+U calculations. Systematic investigation of diverse Pu compounds reveals that the 5f occupancy plays a key role. If the 5f states are populated by more than approximately 5.3 electrons, the Pu magnetism vanishes. For comparison with valence-band photoemission spectra, the Hubbard I method was used. It shows consistently higher 5f5 final-state multiplet originating from the 5f6 admixture in the ground state for those compounds which are nonmagnetic. The 5f occupancy can reach 5.6-5.7 for Pu monochalcogenides.
  • Occurrence of magnetic order on the basis of plutonium can be captured by LDA+U calculations. Systematic investigation of diverse Pu compounds reveals that the 5f occupancy plays a key role. If the 5f states are populated by more than approximately 5.3 electrons, the Pu magnetism vanishes. For comparison with valence-band photoemission spectra, the Hubbard I method was used. It shows consistently higher 5f5 final-state multiplet originating from the 5f6 admixture in the ground state for those compounds which are nonmagnetic. The 5f occupancy can reach 5.6-5.7 for Pu monochalcogenides. (en)
Title
  • Magnetic properties of plutonium and Pu compounds
  • Magnetic properties of plutonium and Pu compounds (en)
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  • Magnetic properties of plutonium and Pu compounds
  • Magnetic properties of plutonium and Pu compounds (en)
skos:notation
  • RIV/68378271:_____/09:00331980!RIV10-AV0-68378271
http://linked.open...avai/riv/aktivita
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  • P(GA202/06/0178), P(GA202/07/0418), P(GA202/07/0644), Z(AV0Z10100520), Z(MSM0021620834)
http://linked.open...iv/cisloPeriodika
  • 7
http://linked.open...vai/riv/dodaniDat
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  • 324369
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  • RIV/68378271:_____/09:00331980
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  • electronic structure; electron correlations; photoemission (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [104EB14307B0]
http://linked.open...i/riv/nazevZdroje
  • Journal of Applied Physics
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http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 105
http://linked.open...iv/tvurceVysledku
  • Gouder, T.
  • Shick, Alexander
  • Havela, L.
http://linked.open...ain/vavai/riv/wos
  • 000266633500661
http://linked.open...n/vavai/riv/zamer
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  • 0021-8979
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