Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2011-07-12
Physics
Condensed Matter
Strongly Correlated Electrons
4 pages + supplementary information
Scientific paper
The magnetic interactions of iron superconductors are studied within the Hartree-Fock and Heisenberg descriptions of the same five orbital model. The experimentally observed (pi,0) order is more stable in the Hartree-Fock approximation than in the Heisenberg one. Due to virtual transitions involving filled orbitals, the first and second nearest neighbor exchange constants J_1 and J_2 of the strong-coupling description become ferromagnetic at large Hund's coupling. Ferromagnetic tendencies are enhanced with electron doping and suppressed with hole doping, the electron-hole asymmetry being less important for small interactions. The Hartree-Fock phase diagram lacks a ferromagnetic phase but includes a double stripe state. In undoped compounds this state is unstable towards phase separation, but it can be stabilized with electron-doping. In both descriptions, (pi,pi) antiferromagnetic order appears on the phase diagram correlated with an unusual orbital reorganization. A non-monotonous dependence of J_1 and J_2 on the Fe-As-Fe angle is found. The implications of our findings for the magnetic state of iron superconductors are discussed.
Bascones Elena
Calderon M. J.
Leon Gabriel
Valenzuela Belén
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