In-plane antiferromagnetism in $Na_{0.5}CoO_2$ induced by $Sb_{Co}$   dopants
  $Na_xCoO_2$ has a fascinating and complex magnetic phase diagram that can be further manipulated by doping. Here, we investigated the effect of electron doping on the magnetic coupling among $Co^{4+}$ ions in $Na_xCoO_2$ using density functional theory based on Hartree-Fock hybrid functional. We found that electron doping through substitutional $Sb_{Co}$ dopants flip the in-plane ferromagnetic coupling among $Co^{4+}$ ions in the undoped compound to antiferromagnetic. Electron doping through interstitial $Cu_{Int}$, however, does not have a similar effect as $Cu_{Int}$ dopant leaves the compound ferromagnetic, just like the case of the undoped compound. The results demonstrate the critical dependence of magnetic phase in $Na_{0.5}CoO_2$ on the dopant and its incorporation site. 
M. H. N. Assadi, S. Li, R. K. Zheng, S. P. Ringer and A. B. Yu
cond-mat.mtrl-sci