| Issue |
MATEC Web of Conferences
Volume 33, 2015
ESOMAT 2015 – 10th European Symposium on Martensitic Transformations
|
|
|---|---|---|
| Article Number | 02002 | |
| Number of page(s) | 4 | |
| Section | Mathematics, Fundamentals and Modelling | |
| DOI | https://doi.org/10.1051/matecconf/20153302002 | |
| 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: pavluhinaoo@mail.ru
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
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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