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Description
  • Výpočty DMFT elektronové struktury a fotoelektronových spekter PuS, PuSe a PuTe. (cs)
  • The electronic structure of Pu chalcogenides is investigated making use of static around-mean-field LDA+U and dynamical LDA+HIA (Hubbard-I) methods. The LDA+U calculations provide correct non-magnetic ground state for PuX (X=S,Se,Te) with 5f-manifold non-integer filling (5.6(PuS)-5.7(PuTe)). This is an indication of a mixed valence ground state which is a combination of f5 and f6 multiplets. The photoelectron spectra are calculated in good agreement with experimental data. The 5f-manifold three-peaks feature near EF is well reproduced by LDA+HIA, and follows from mixed valence character of the ground state.
  • The electronic structure of Pu chalcogenides is investigated making use of static around-mean-field LDA+U and dynamical LDA+HIA (Hubbard-I) methods. The LDA+U calculations provide correct non-magnetic ground state for PuX (X=S,Se,Te) with 5f-manifold non-integer filling (5.6(PuS)-5.7(PuTe)). This is an indication of a mixed valence ground state which is a combination of f5 and f6 multiplets. The photoelectron spectra are calculated in good agreement with experimental data. The 5f-manifold three-peaks feature near EF is well reproduced by LDA+HIA, and follows from mixed valence character of the ground state. (en)
Title
  • Electronic structure and photoemission in plutonium chalcogenides
  • Elektronová struktura a fotoelektronová spektroskopie ve chalcogenideh plutonia (cs)
  • Electronic structure and photoemission in plutonium chalcogenides (en)
skos:prefLabel
  • Electronic structure and photoemission in plutonium chalcogenides
  • Elektronová struktura a fotoelektronová spektroskopie ve chalcogenideh plutonia (cs)
  • Electronic structure and photoemission in plutonium chalcogenides (en)
skos:notation
  • RIV/68378271:_____/08:00323225!RIV09-AV0-68378271
http://linked.open...avai/riv/aktivita
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  • P(GA202/07/0644), P(OC 144), Z(AV0Z10100520)
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  • 365852
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  • RIV/68378271:_____/08:00323225
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  • electronic sructure; photoemission; magnetism; strong electron correlations (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [39BBC3370FC6]
http://linked.open...v/mistoKonaniAkce
  • San Francisco
http://linked.open...i/riv/mistoVydani
  • Warrendale, PA
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  • Actinides 2008—Basic Science, Applications, and Technology
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http://linked.open...UplatneniVysledku
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  • Gouder, T.
  • Shick, Alexander
  • Havela, L.
http://linked.open...vavai/riv/typAkce
http://linked.open...ain/vavai/riv/wos
  • 000258911500008
http://linked.open.../riv/zahajeniAkce
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number of pages
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  • Materials Research Society
https://schema.org/isbn
  • 978-1-60511-074-5
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