Počet záznamů: 1
Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa.sub.5./sub. and PuRhGa.sub.5./sub. superconductors
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SYSNO ASEP 0364519 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa5 and PuRhGa5 superconductors Tvůrce(i) Shick, Alexander (FZU-D) RID, ORCID
Rusz, Ján (FZU-D)
Kolorenč, Jindřich (FZU-D) RID, ORCID, SAI
Oppeneer, P.M. (SE)
Havela, L. (CZ)Zdroj.dok. Physical Review. B - ISSN 1098-0121
Roč. 83, č. 15 (2011), "155105-1"-"155105-7"Poč.str. 7 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova magnetism ; superconductivity ; PuCoGa5 Vědní obor RIV BM - Fyzika pevných látek a magnetismus CEP GAP204/10/0330 GA ČR - Grantová agentura ČR IAA100100912 GA AV ČR - Akademie věd CEZ AV0Z10100520 - FZU-D (2005-2011) UT WOS 000289190700002 DOI 10.1103/PhysRevB.83.155105 Anotace We report electronic structure calculations of PuCoGa5 and PuRhGa5 superconductors. The band structure, electric field gradients, and Fermi surface topologies were investigated using two methods of correlated band theory, namely the conventional static mean-field LDA+U and the local density matrix approximation (LDMA). The latter is based on the Hubbard-I approximation and includes intra-atomic dynamical correlations in a self-consistent manner. Our results show that although LDA+U and LDMA calculations do not significantly modify the Fermi surface topologies compared to LDA, they do lead to a substantial reduction of the f character of the electronic states at the Fermi energy. The calculations indicate presence of a pseudogap in the electronic spectrum. We achieve a good agreement between calculated and experimental nuclear quadrupolar resonance frequencies and a fairly good agreement between calculated and experimental photoemission spectra. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2012
Počet záznamů: 1