Physics – Condensed Matter – Materials Science
Scientific paper
2012-01-28
Physics
Condensed Matter
Materials Science
17 pages, 4 figures, accepted in PRB
Scientific paper
The structural, electronic and magnetic properties of small ${\rm Fe}_m {\rm Rh}_n$ clusters having $N = m+n \leq 8$ atoms are studied in the framework of a generalized-gradient approximation to density-functional theory. For $N = m+n \leq 6$ a thorough sampling of all cluster topologies has been performed, while for $N = 7$ and 8 only a few representative topologies are considered. In all cases the entire concentration range is systematically investigated. All the clusters show ferromagnetic-like order in the optimized structures. As a result, the average magnetic moment per atom $\bar\mu_N$ increases monotonously, which is almost linear over a wide range of concentration with Fe content. A remarkable enhancement of the local Fe moments beyond 3 $\mu_B$ is observed as result of Rh doping. The composition dependence of the binding energy, average magnetic moment and electronic structure are discussed.
Mokkath Junais Habeeb
Pastor G. M.
No associations
LandOfFree
First-principles study of structural, magnetic and electronic properties of small FeRh alloy clusters does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with First-principles study of structural, magnetic and electronic properties of small FeRh alloy clusters, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and First-principles study of structural, magnetic and electronic properties of small FeRh alloy clusters will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-257692