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

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

2008-07-22

arxiv.org/abs/0807.3507v1

Phys. Rev. Lett. 102, 096401 (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 3 figures, 2 tables

Scientific paper

10.1103/PhysRevLett.102.096401

We 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.

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