Comments on the paper “The structural, electronic and magnetic properties of Fe3ZnC anti-perovskite”

Abstract

We revisit the magnetic phase transition in the spin-5/2 $J_1-J_2$ Blume–Capel model, proposed to describe the magnetic properties of Fe${}_3$ZnC in the recently published paper ”The structural, electronic and magnetic properties of Fe${}_3$ZnC anti-perovskite” by Hajjami et al., using the Monte Carlo method combined with finite-size scaling analysis. Our results verify that the magnetic phase transition is continuous and belongs to the three-dimensional Ising universality class. The critical temperature is determined to be $T_c=23.63\left(1\right)$ K, which is close to a mean-field theory estimate but significantly lower than the value reported by Hajjami et al., raising questions about the validity of their computational analysis. Moreover, the discrepancy in critical temperature between our results and experimental observations suggests that the proposed spin model or parameter set may require reevaluation to properly describe the magnetic properties of Fe${}_3$ZnC.