MATEC Web of Conferences
Volume 33, 2015ESOMAT 2015 – 10th European Symposium on Martensitic Transformations
|Number of page(s)||6|
|Published online||07 December 2015|
First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys
1 Chelyabinsk State University, Condensed Matter Physics Department, 454001 Chelyabinsk, Russia
2 University of Duisburg-Essen, Faculty of Physics and Center for Nanointegration, CENIDE, D-47048 Duisburg, Germany
a Corresponding author: firstname.lastname@example.org
In this work, we report the study of the effect of carbon on electronic and magnetic properties of the Ni45Co5Mn37In13 alloy. Two compounds with addition of 5 at.% C for Mn and In with ferro- and ferrimagnetic spin configurations have been discussed in the framework of first-principles and Monte Carlo calculations. In order to calculate the magnetic exchange parameters, magnetic moments, and electronic density of states curves we have used the SPR-KKR package. We have shown that the addition of carbon leads to enhancement of antiferromagnetic exchange interactions between Mn atoms in martensite of both compounds. The temperature dependences of magnetizations as well as Curie temperatures of austenite and martensite have been obtained.
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