Abstract
Crystal structure and magnetic ordering in ${\mathrm{YMn}}_{3}{\mathrm{Al}}_{4}{\mathrm{O}}_{12}$ are determined by neutron powder diffraction measurement, indicating that $S=2$ spins of the ${A}^{\ensuremath{'}}$-site ${\mathrm{Mn}}^{3+}$ ions are ordered in G-type antiferromagnetic (AFM) arrangement in the $Im\overline{3}$ cubic crystal structure. Using the first-principles electronic structure calculations, it is found that the AFM spin structure is stabilized by the nearest-neighbour (NN) exchange interaction. The underlying mechanism of the NN exchange is revealed to be the antiferromagnetic Mn-O-Mn superexchange interaction from the calculations of electronic transfer integrals.
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