Packing fraction related distortion of Mn6C octahedra and its effect on the first order magnetic transition in Mn based antiperovskites

@article{Mungale2019PackingFR,
  title={Packing fraction related distortion of Mn6C octahedra and its effect on the first order magnetic transition in Mn based antiperovskites},
  author={Aishwarya Mungale and Kaustubh R. Priolkar},
  journal={arXiv: Materials Science},
  year={2019}
}
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… 

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