ChemInform Abstract: Layered B‐Site Cation Ordering: A Key Factor in Ferrimagnetism of Y₂MnCrO₆.

Abstract

The structure of the title compound is determined by Rietveld refinement of powder XRD data (space group P2 1/b). The results suggests a monoclinic structure with Mn 3+ /Cr 3+ layers alternately stacked along [001]. First-principles calculations reveal that the structure with layered B-site cation ordering has the lowest total energy; the insulating ferrimagnetic state is more favored compared to the ferromagnetic state which agrees with reported experimental results. Based on the model of Goodenough of semi-covalent exchange, anisotropic magnetic couplings between the Mn 3+ /Cr 3+ cations ordered in layered pattern are assumed to play an important role for the ferrimagnetism of the compound. -(HAO, L.; YANG, L.; LEE, M.-H.; LIN, T.-H.; ZHANG, Z.; XIE, X.; ZHU*, H.; J. Alloys Compd. 601 (2014) 14-18, http://dx.