MATEC Web of Conferences
Volume 33, 2015ESOMAT 2015 – 10th European Symposium on Martensitic Transformations
|Number of page(s)||4|
|Section||Mathematics, Fundamentals and Modelling|
|Published online||07 December 2015|
First principles study of the structural properties of Ni1.75Co0.25Mn1.5-xCrxIn0.5 Heusler alloy
Condensed Matter Physics Department, Chelyabinsk State University, 454001 Chelyabinsk, Russia
a Corresponding author: firstname.lastname@example.org
In this work, the structural and magnetic properties of Cr – doped Ni1.75Co0.25MnCr0.5In0.5 Heusler alloys are investigated by using the density functional theory calculations. The chemical disorder is treated by the 16-atom supercell approach. Three compositions with substitution of 6.25%, 12.5 %, 18.75%, and 25% Cr for Mn are taken into consideration. The formation energy, magnetic moments and lattice parameters depending on the Cr content are found. It is shown that compositions with 6.25% and 12.5% of Cr are energetically stable in austenite.
© Owned by the authors, published by EDP Sciences, 2015
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