Spin-reversal energy barriers of 305 K for Fe${}^{2+}$ $d^6$ ions with linear ligand coordination

Lei Xu, Ziba Zangeneh, Ravi Yadav +4

A remarkably large magnetic anisotropy energy of 305 K is computed by quantum chemistry methods for divalent Fe${}^{2+}$ $d^6$ substitutes at Li-ion sites with $D_{6h}$ point-group s…