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arXiv · 2004.00258

Packing fraction related distortion of Mn$_6$C octahedra and its effect on the first order magnetic transition in Mn based antiperovskites

Aishwarya Mungale·K. R. Priolkar
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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.

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Aishwarya Mungale, K. R. Priolkar. 2020-04-01. Packing fraction related distortion of Mn$_6$C octahedra and its effect on the first order magnetic transition in Mn based antiperovskites. https://doi.org/10.1063/1.5130713

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