High-Pressure Synthesized Perovskite CdMnO 3 with C-Type Antiferromagnetic Spin Configuration.

CdMnO had not been previously reported and was a missing piece in the AMnO series. We succeeded in synthesizing this compound by a high-pressure method and confirmed that it is crystallized in a distorted perovskite structure with a CdMnO charge configuration. The obtained insulating CdMnO exhibits an antiferromagnetic transition at about 86 K. First-principles calculations revealed that the Mn () spins form a C-type antiferromagnetic structure, which is in sharp contrast to the G-type antiferromagnetism in the isostructural and isoelectronic CaMnO. Significant overlap of the Mn-3d and O(2)-2p orbitals produces distorted octahedra with a large Mn-O(1)-Mn tilt and induces antiferromagnetic couplings in the plane and the ferromagnetic couplings along the axis.