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arXiv · 1206.4551

Fermi surface topology of LaFePO and LiFeP

Johannes Ferber·Harald O. Jeschke·Roser Valenti
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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.

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Johannes Ferber, Harald O. Jeschke, Roser Valenti. 2012-12-12. Fermi surface topology of LaFePO and LiFeP. https://doi.org/10.1103/physrevlett.109.236403

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