Fermi Surface Topology of LaFePO and LiFeP

被引：22

作者：

Ferber, Johannes ^{[1
]}

Jeschke, Harald O. ^{[1
]}

Valenti, Roser ^{[1
]}

机构：

[1] Goethe Univ Frankfurt, Inst Theoret Phys, D-60438 Frankfurt, Germany

来源：

PHYSICAL REVIEW LETTERS | 2012年 / 109卷 / 23期

关键词：

ELECTRONIC-STRUCTURE; IRON PNICTIDES; SUPERCONDUCTOR; SPECTRA; LAOFEP;

D O I：

10.1103/PhysRevLett.109.236403

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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 Gamma (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.

引用

页数：5

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