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  • Title: Fermi surface topology of LaFePO and LiFeP.
    Author: Ferber J, Jeschke HO, Valentí R.
    Journal: Phys Rev Lett; 2012 Dec 07; 109(23):236403. PubMed ID: 23368230.
    Abstract:
    We perform charge self-consistent density functional theory combined with dynamical mean field theory calculations to study correlation effects on the Fermi surfaces of the iron pnictide superconductors LaFePO and LiFeP. We find a distinctive change in the topology of the Fermi surface in both compounds where a hole pocket with Fe d(z(2)) orbital character changes its geometry from a closed shape in the local-density approximation to an open shape upon inclusion of correlations. The opening of the pocket occurs in the vicinity of the Γ (Z) point in LaFePO (LiFeP). We discuss the relevance of these findings for the low superconducting transition temperature and the nodal gap observed in these materials.
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