Packing fraction related distortion of Mn${}_6$C 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, Mn${}_3$GaC, Mn${}_3$SnC and Mn${}_3$InC. These three compounds have very different magnetic ground states despite the similar cubic structure. Our calculations show that the distortions of Mn${}_6$C octahedra, which are responsible for the first-order magnetic transition to antiferromagnetic state, depends on the packing fraction of the lattice.

References in corpus (4)

• Effect of carbon content on magnetostructural properties of Mn${}_3$GaC
• Effect of local structural distortions on magnetostructural transformation in Mn${}_3$SnC
• Mechanism of magnetostructural transformation in multifunctional Mn${}_3$GaC
• Absence of first order magnetic transition, a curious case of Mn3InC