Interplay between magnetic properties and Fermi surface nesting in iron pnictides

被引：80

作者：

Yaresko, A. N. ^{[1
]}

Liu, G.-Q. ^{[1
]}

Antonov, V. N. ^{[1
]}

Andersen, O. K. ^{[1
]}

机构：

[1] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 14期

关键词：

antiferromagnetic materials; band structure; barium compounds; doping; exchange interactions (electron); Fermi surface; iron compounds; lanthanum compounds; magnetic moments; magnetic susceptibility; potassium compounds; SCF calculations; spin density waves; superconducting materials; total energy; SPIN-DENSITY-WAVE; SUPERCONDUCTIVITY; METALS; ORDER;

D O I：

10.1103/PhysRevB.79.144421

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The wave-vector (q) and doping (x,y) dependences of the magnetic energy, iron moment, and effective exchange interactions in LaFeAsO1-xFx and Ba1-2yK2yFe2As2 are studied by self-consistent LSDA calculations for co-planar spin spirals. For the undoped compounds (x=0,y=0), the minimum of the calculated total energy, E(q), is for q corresponding to stripe antiferromagnetic order. Already at low levels of electron doping (x), this minimum becomes flat in LaFeAsO1-xFx and for x greater than or similar to 5%, it shifts to an incommensurate q. In Ba1-2yK2yFe2As2, stripe order remains stable for hole doping up to y=0.3. These results are explained in terms of the band structure. The magnetic interactions cannot be accurately described by a simple classical Heisenberg model and the effective exchange interactions fitted to E(q) depend strongly on doping. The doping dependence of the E(q) curves is compared with that of the noninteracting magnetic susceptibility for which similar trends are found.

引用

页数：12

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