Phase Transition and Magnetic Suppression in Heusler Alloy IrMnAl

Himanshu Joshi; Amel Laref; A. Yvaz; Dibya. P. Rai

Phase Transition and Magnetic Suppression in Heusler Alloy IrMnAl

Materials Science 2024-10-11 v1

Authors: Himanshu Joshi , Amel Laref , A. Yvaz , Dibya. P. Rai

Abstract

This study conducts a comprehensive first-principles investigation of the IrMnAl Heusler alloy, highlighting its magnetic properties and assessing the effects of pressure-induced phase shift. The limitations of Generalized Gradient Approximation in accurately representing the compounds magnetic behavior is addressed by employing the GGA+U approach, which more effectively captures the electronic features. At 5.6 GPa pressure, we observe a novel structural phase transition from the cubic F4-3m to the P4-3m space group. The calculated Curie temperature, combined with the analysis of Mn-Mn exchange interaction, sheds light on the weak ferromagnetism observed in the new phase of the compound.

Keywords

Heusler alloy IrMnAl phase transition magnetic properties GGA+U first-principles calculation high pressure

Cite

@article{arxiv.2410.07668,
  title  = {Phase Transition and Magnetic Suppression in Heusler Alloy IrMnAl},
  author = {Himanshu Joshi and Amel Laref and A. Yvaz and Dibya. P. Rai},
  journal= {arXiv preprint arXiv:2410.07668},
  year   = {2024}
}