Single-crystal neutron diffraction study of the insulating phase in
Phys. Rev. B 113, 205142 – Published 22 May, 2026
DOI: https://doi.org/10.1103/y4sd-sl69
Abstract
We report a single-crystal neutron diffraction study of the crystal and magnetic structures of in its insulating phases, performed on a well-characterized sample that exhibits room-temperature low-field colossal magnetoresistance (CMR). Previous studies have reported conflicting results regarding the crystal structure and the presence or absence of charge-orbital ordering, likely due to differences in sample form and measurement techniques. By using a single crystal in which CMR is directly observed, we clarify these inconsistencies and establish a unified structural picture. This study establishes that the insulating phases correspond to a charge-orbital-ordered state in . We find that both the paramagnetic and antiferromagnetic insulating phases adopt a unit cell with space group and exhibit -type charge and orbital ordering. The antiferromagnetic phase shows an A-type magnetic structure with inequivalent Mn moments arising from this ordering. These results demonstrate that the insulating phases correspond to a charge-orbital-ordered state and suggest that the observed CMR originates from the competition between charge-orbital ordering and magnetic structures. In addition, the polar crystal symmetry implies the presence of spontaneous polarization, mainly arising from oxygen displacements.