2008/10/31 by A. N. Yaresko, G. -Q. Liu, G.-Q. Liu +2 · 92 citations
Business, Management and Accounting · Materials Science · Physics and Astronomy · #Antiferromagnetism #Condensed matter physics #Corporate Taxation and Avoidance #Doping #Energy (signal processing) #Exchange interaction #Fermi surface #Ferromagnetism #Iron-based superconductors research #Magnetic moment #Order (exchange) #Physics #Quantum mechanics #Rare-earth and actinide compounds #Spin (aerodynamics) #Superconductivity #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.79.144421
published in Physical Review B 79(14) (American Physical Society) · 17 pages, 5 figures
arxiv created 2009/04/03 · openalex publication_date 2009/04/16 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
The wave-vector (q) and doping (x,y) dependences of the magnetic energy, iron moment, and effective exchange interactions in LaFeAsO_1\ensuremath-xFx and Ba_1\ensuremath-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 LaFeAsO_1\ensuremath-xFx and for x\ensuremath\gtrsim5%, it shifts to an incommensurate q. In Ba_1\ensuremath-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.