Double-exchange driven ferromagnetic metal-paramagnetic insulator transition in Mn-doped CuO

Employing ab initio self-interaction-corrected local-spin-density calculations, we explain the nature of the ferromagnetic, metallic phase of Mn-doped CuO (an antiferromagnetic insulator when undoped), and of its concurrent transitions to a paramagnetic, insulating phase. Mn-induced donor levels enable conduction through ferromagnetically aligned Mn centers and ferromagnetic CuO planes via double exchange. In the paramagnetic insulating phase, a polaron hopping mechanism consistent with the experiments is envisaged. Our results suggest the intriguing possibility of designing double-exchange driven ferromagnetic cuprates.