Multiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals

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dc.creatorPourovskii, Leonid V.
dc.creatorDelaney, Kris T.
dc.creatorVan de Walle, Chris G.
dc.creatorSpaldin, Nicola A.
dc.creatorGeorges, Antoine
dc.date2008-07-22
dc.date.accessioned2026-07-07T12:47:49Z
dc.date.available2026-07-07T12:47:49Z
dc.descriptionWe demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the essential physics of rare-earth semiconductors and semimetals. We focus in particular on the rare-earth semimetal erbium arsenide (ErAs), for which effective one-electron approaches fail to provide a consistent picture of both high and low-energy electronic states. We treat the many-body states of the Er 4f shell within an atomic approximation in the framework of dynamical mean-field theory. Our results for the magnetic-field dependence of the 4f local moment, the influence of multiplets on the photoemission spectrum, and the exchange splitting of the Fermi surface pockets as measured from Shubnikov-de Haas oscillations, are found to be in good agreement with experimental results.
dc.description5 pages, 3 figures, 2 tables
dc.identifierhttps://arxiv.org/abs/0807.3507
dc.identifierhttp://arxiv.org/abs/0807.3507
dc.identifierPhys. Rev. Lett. 102, 096401 (2009)
dc.identifierdoi:10.1103/PhysRevLett.102.096401
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/221847
dc.subjectStrongly Correlated Electrons
dc.subjectMaterials Science
dc.titleMultiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals
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