About: Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa5 and PuRhGa5 superconductors

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About: Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa5 and PuRhGa5 superconductors Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. 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. (en)
Title	Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa5 and PuRhGa5 superconductors Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa5 and PuRhGa5 superconductors (en)
skos:prefLabel	Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa5 and PuRhGa5 superconductors Theoretical investigation of electronic structure, electric field gradients, and photoemission of PuCoGa5 and PuRhGa5 superconductors (en)
skos:notation	RIV/68378271:_____/11:00364519!RIV12-AV0-68378271
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GAP204/10/0330), P(IAA100100912), Z(AV0Z10100520), Z(MSM0021620834)
http://linked.open...iv/cisloPeriodika	15
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Kolorenč, Jindřich Shick, Alexander Rusz, Ján
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	235096
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/11:00364519
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	magnetism; superconductivity; PuCoGa5 (en)
http://linked.open.../riv/klicoveSlovo	superconductivity PuCoGa5 magnetism
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[F94EC0760184]
http://linked.open...i/riv/nazevZdroje	Physical Review. B
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Nanostructured actinide-based materials: Theory and experiment Magnetic anisotropy of nano-interfaces
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	83
http://linked.open...iv/tvurceVysledku	Kolorenč, Jindřich Oppeneer, P. M. Shick, Alexander Havela, L. Rusz, Ján
http://linked.open...ain/vavai/riv/wos	000289190700002
http://linked.open...n/vavai/riv/zamer	Specific effects in condensed systems with reduced dimension and broken symmetry Condensed Matter Physics – New Materials and Technologies
issn	1098-0121
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1103/PhysRevB.83.155105

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