Ab initio lattice stability of fcc and hcp Fe-Mn random alloys.

@article{Gebhardt2010AbIL,
  title={Ab initio lattice stability of fcc and hcp Fe-Mn random alloys.},
  author={T Gebhardt and Denis Music and B Hallstedt and Marcus Ekholm and I. A. Abrikosov and Levente Vitos and Jochen M. Schneider},
  journal={Journal of physics. Condensed matter : an Institute of Physics journal},
  year={2010},
  volume={22 29},
  pages={295402}
}
We have studied the lattice stability of face centred cubic (fcc) versus hexagonal close packed (hcp) Fe-Mn random alloys using ab initio calculations. In the calculations we considered the antiferromagnetic order of local moments, which for fcc alloys models the magnetic configuration of this phase at room temperature (below its Néel temperature) as well as their complete disorder, corresponding to paramagnetic fcc and hcp alloys. For both cases, the results are consistent with our… CONTINUE READING