Journal
PHYSICAL REVIEW B
Volume 74, Issue 22, Pages -Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.74.220401
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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.
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