Disorder-induced cubic phase in Fe${}_2$-based Heusler alloys

Abstract

Based on first-principles electronic structure calculations, we analyze the chemical and magnetic mechanisms stabilizing the cubic phase in Fe${}_2$-based Heusler materials, which were previously predicted to be tetragonal when being chemically ordered. In agreement with recent experimental data, we found that these compounds crystallize within the so-called "inverted" cubic Heusler structure perturbed by a certain portion of the intrinsic chemical disorder. Understanding these mechanisms is a necessary step to guide towards the successful future synthesis of the stable Fe${}_2$-based tetragonal phases, which are very promising candidates for the fabrication of rare-earth-free permanent magnets.

References in corpus (2)

• New iron-based Heusler compounds Fe2YZ: Comparison with theoretical predictions of the crystal structure and magnetic properties
• Perpendicularly magnetized Mn-Co-Ga-based thin films with high coercive field

Cited by in corpus (3)

• Large Noncollinearity and Spin Reorientation in the Novel Mn2RhSn Heusler Magnet
• Heusler compounds -- how to tune the magnetocrystalline anisotropy
• Chemical disorder as engineering tool for spin-polarizationin Mn3Ga-based Heusler systems