Wei Li, Chandan Setty, X. H. Chen, Jiangping Hu
Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2
(2212\ast) and BaFe2Se3(123\ast) are studied by the first-principles
calculations. We find that while all these compounds are composed of
one-dimensional (1D) Fe chain (or ladder) structures, their electronic
structures are not close to be quasi-1D. The magnetic exchange couplings
between two nearest-neighbor (NN) chains in 2212\ast and between two NN
two-leg-ladders in 123\ast are both antiferromagnetic (AFM), which is
consistent with the presence of significant third NN AFM coupling, a common
feature shared in other iron-chalcogenides, FeTe (11\ast) and KyFe2-xSe2
(122\ast). In magnetic ground states, each Fe chain of 2212\ast is
ferromagnetic and each two-leg ladder of 123\ast form a block-AFM structure. We
suggest that all magnetic structures in iron-selenide compounds can be unified
into an extended J1-J2-J3 model. Spin-wave excitations of the model are
calculated and can be tested by future experiments on these two systems.
View original:
http://arxiv.org/abs/1202.4016
No comments:
Post a Comment