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Electronic structure and spectral properties of heavy actinides Pu, Am, Cm, and Bk
- 1.0343884 - FZÚ 2011 RIV GB eng J - Journal Article
Shick, Alexander - Kolorenč, Jindřich - Lichtenstein, A.I. - Havela, L.
Electronic structure and spectral properties of heavy actinides Pu, Am, Cm, and Bk.
IOP Conference Series: Materials Science and Engineering. Roč. 9, č. 1 (2010), 012049/1-012049/5. ISSN 1757-8981
R&D Projects: GA AV ČR IAA100100912; GA ČR(CZ) GC202/07/J047
Institutional research plan: CEZ:AV0Z10100520
Keywords : actinides * photoemission * strong electron correlations
Subject RIV: BM - Solid Matter Physics ; Magnetism
Selected electronic properties of Pu, Am, Cm and Bk are calculated with the aid of charge self-consistent LDA + Hubbard I method. Presented all-electron calculations are performed in the full-potential LAPW basis and incorporate spin-orbit interaction. The results are found to be in good agreement with experimental valence photoelectron spectra as well as with core XAS/EELS spectra of heavy actinides.
Permanent Link: http://hdl.handle.net/11104/0186259
Number of the records: 1