Number of the records: 1
Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa.sub.5./sub. and PuRhGa.sub.5./sub. superconductors
- 1.
SYSNO ASEP 0364519 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa5 and PuRhGa5 superconductors Author(s) Shick, Alexander (FZU-D) RID, ORCID
Rusz, Ján (FZU-D)
Kolorenč, Jindřich (FZU-D) RID, ORCID, SAI
Oppeneer, P.M. (SE)
Havela, L. (CZ)Source Title Physical Review. B - ISSN 1098-0121
Roč. 83, č. 15 (2011), "155105-1"-"155105-7"Number of pages 7 s. Language eng - English Country US - United States Keywords magnetism ; superconductivity ; PuCoGa5 Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GAP204/10/0330 GA ČR - Czech Science Foundation (CSF) IAA100100912 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z10100520 - FZU-D (2005-2011) UT WOS 000289190700002 DOI 10.1103/PhysRevB.83.155105 Annotation 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. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2012
Number of the records: 1