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

Janos Kiss; Stanislav Chadov; Gerhard H. Fecher; Claudia Felser

doi:10.1103/PhysRevB.87.224403

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

Materials Science 2013-08-08 v1

Authors: Janos Kiss , Stanislav Chadov , Gerhard H. Fecher , Claudia Felser

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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.

Keywords

phase transitions crystal structure of iron alloys crystal structure and quasicrystals

Cite

@article{arxiv.1302.0713,
  title  = {Disorder-induced cubic phase in Fe$_2$-based Heusler alloys},
  author = {Janos Kiss and Stanislav Chadov and Gerhard H. Fecher and Claudia Felser},
  journal= {arXiv preprint arXiv:1302.0713},
  year   = {2013}
}

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