The electronic structure and magnetism of a new layered iron selenide superconductor: LiOHFeSe

We studied the electronic structure and magnetic properties of LiOHFeSe with first-principle calculations. The strong Fermi-surface nesting in the nonmagnetic state induces magnetic instability and the spin-density-wave state, which is more stable than the other states. The calculated bare susceptibility χ0(q) peaked at the M-point and it was obviously suppressed with increasing electron and hole doping.