The antiferromagnetic-paramagnetic transition in αFe2O3 in the single prism approximation of the cluster variation method

The single prism approximation SPA of the cluster variation method has been used to model the antiferromagnetic-paramagnetic transition in hematite. This calculation yields insight into the accuracy of the SPA and other approximate methods for modeling order-disorder phenomena. Published values of the magnetic coupling constants were used to calculate the Néel temperature, sublattice magnetization, and magnetic specific heat. The calculated Néel temperature is found to be 1.21 times the observed value, as compared to 1.36 times observed for a mean field theory approximation, an improvement that reflects the superior treatment of configurational entropy in the SPA. Qualitative to semiquantitative agreement is obtained between observed and calculated values for sublattice magnetization and magnetic specific heat; however we find that previously published values for the magnetic specific heat are too large by a factor of two.