Packing fraction related distortion of Mn6C octahedra and its effect on the first order magnetic transition in Mn based antiperovskites
Abstract
In this paper, we attempt to understand the cause of magnetostructural transformation in Mn-based antiperovskites by calculating EXAFS at the K edges of constituent metal atoms in three antiperovskite compounds, Mn3GaC, Mn3SnC and Mn3InC. These three compounds have very different magnetic ground states despite the similar cubic structure. Our calculations show that the distortions of Mn6C octahedra, which are responsible for the first-order magnetic transition to antiferromagnetic state, depends on the packing fraction of the lattice.
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