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- W1982179690 abstract "The electronic structure of the cubic Laves phase of γ-CeAl2, is performed by means of a selfconsistent first-principles pseudopotential model which includes the Coulomb correlation (Cc) effects within the band Hamiltonian. The electronic structure without the pseudopotential is also calculated and both results are compared. The wave functions are determined of the electronic states with 4f character and their couplings with other extended states. The main features of the electronic structure of this Ce alloy consist in the existence of peaks corresponding to the different 4f configurations and the complex location of the occupied 4f bands (≈ 2.7 eV below the Fermi level). All these characteristics are quantitatively determined and are in good agreement with previous theoretical and experimental results. Die Elektronenstruktur der kubischen Laves-Phase von γ-CeAl2, wird mittels eines selbstkonsistenten ab-initio-Pseudopotentialmodells, das Coulombkorrelations(Cc)-Effekte innerhalb des Banderhamiltonian einschließt, berechnet. Die Elektronenstruktur ohne Pseudopotential wird ebenfalls berechnet, und beide Ergebnisse werden verglichen. Die Wellenfunktionen der Elektronenzustände mit 4f-Charakter und ihre Kopplung mit anderen ausgedehnten Zustanden werden be- stimmt. Die Hauptzüge der elektronischen Struktur dieser Ce-Legierung bestehen in der Existenz von Maxima, die verschiedenen 4f-Konfigurationen entsprechen, und der komplexen Anordnung der besetzten 4f-Bander (≈ 2,7 eV unterhalb des Ferminiveaus). Alle diese Charakteristiken werden quantitativ bestimmt und sind in guter Ubereinstimmung mit fruheren theoretischen und experimentellen Ergebnissen." @default.
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- W1982179690 date "1985-12-01" @default.
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- W1982179690 title "Electronic Structure of the Cubic Laves Phase of γ-CeAl2" @default.
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- W1982179690 doi "https://doi.org/10.1002/pssb.2221320220" @default.
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