Open Access
Article Number 04004
Number of page(s) 7
Section Principles, Simulations, Materials: Advanced Materials
Published online 01 September 2009
ESOMAT 2009, 04004 (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 Entel1

1  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

Published online: 1 September 2009

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