Physics – Condensed Matter – Disordered Systems and Neural Networks
Scientific paper
2006-06-28
Physics
Condensed Matter
Disordered Systems and Neural Networks
Sumitted to Journal of Magnetism and Magnetic Materials for publication
Scientific paper
In this communication we present a study of the electronic structure of partially disordered bulk and (100) thin film of quaternary pseudo-Heusler alloy Co$_2$Fe$_{0.4}$Cr$_{0.6}$Al in the L2$_1$ phase using the Augmented Space recursion (ASR) in a scalar-relativistic tight binding linear muffin-tin orbitals (TB-LMTO) basis. We study the orbital resolved magnetic moment contributions of the constituents of the alloy. Our theoretical predictions match well with the available experimental observations for the magnetic moments of Fe and Co but they overestimate that of Cr. For a (100) thin film, layer as well as orbital resolved properties have been studied.
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