Fermi surface topology of LaFePO and LiFeP

Abstract

We perform charge self-consistent LDA+DMFT (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 dz^2 orbital character changes its geometry from a closed shape in LDA to an open shape upon inclusion of correlations.

5 pages, 4 figures; updated version, slightly extended discussion + nicer figures

References in corpus (6)

• LiFeAs: An Intrinsic FeAs-based Superconductor with Tc = 18K
• Electronic structure of the iron-based superconductor LaOFeP
• Evidence for nodal superconductivity in LaFePO
• Hund's coupling key role in multi-orbital correlations
• Fermi surface of superconducting LaFePO determined by quantum oscillations
• Intrinsic Properties of Stoichiometric LaOFeP

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