| Issue |
ESOMAT 2009
2009
|
|
|---|---|---|
| Article Number | 04004 | |
| Number of page(s) | 7 | |
| Section | Principles, Simulations, Materials: Advanced Materials | |
| DOI | https://doi.org/10.1051/esomat/200904004 | |
| Published online | 01 September 2009 | |
DOI: 10.1051/esomat/200904004
Characterization of new ferromagnetic Fe-Co-Zn-Ga alloys by ab initio investigations
Antje Dannenberg1, Markus E. Gruner1, Manfred Wuttig2 and Peter Entel11 Department of Physics and Center for Nanointegration, CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany
2 Department of Materials Science and Engineering, University of Maryland, College Park, MD 207422115, USA
antje@thp.uni-duisburg.de
Published online: 1 September 2009
Abstract
We have calculated structural energy differences, magnetic interaction constants
and mixing energies of Fe-Co-Ga(Zn) alloys in order to gain information about their
suitability for ferromagnetic shape memory devices. We considered the classical Heusler
structure as well as an ordering type in which the Co and one Fe sublattice are
interchanged. The results of our density functional theory investigations suggest high
Curie and martensitic phase transition temperatures for the Ga-based as well as for the
Zn-based systems. In case of hyp othetical Fe2 CoZn alloys, the classically ordered
Heusler structure is energetically preferred. In Ga based alloys, the ordering type with Co
partially on Fe sites appears to be more stable. We propose that a systematic variation of
composition by successive addition of Zn and Co to Fe-Co-Ga may result in a promising new
ferromagnetic shape memory alloy of type
Fe2−x Co1+x Ga1−y Zny.
© Owned by the authors, published by EDP Sciences 2009