First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys

First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys

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 Car...

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Main Authors: Sokolovskiy Vladimir, Buchelnikov Vasiliy, Entel Peter
Format: Article
Language:English
Published: EDP Sciences 2015-01-01
Series:MATEC Web of Conferences
Online Access:http://dx.doi.org/10.1051/matecconf/20153305004
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spelling doaj-a5fb9e57d20440d69eff9b5c1ed6c7232021-03-02T06:52:56ZengEDP SciencesMATEC Web of Conferences2261-236X2015-01-01330500410.1051/matecconf/20153305004matecconf_esomat2015_05004First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloysSokolovskiy Vladimir0Buchelnikov Vasiliy1Entel Peter2Chelyabinsk State University, Condensed Matter Physics DepartmentChelyabinsk State University, Condensed Matter Physics DepartmentUniversity of Duisburg-Essen, Faculty of Physics and Center for Nanointegration, CENIDEIn 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.http://dx.doi.org/10.1051/matecconf/20153305004
collection DOAJ
language English
format Article
sources DOAJ
author Sokolovskiy Vladimir
Buchelnikov Vasiliy
Entel Peter
spellingShingle Sokolovskiy Vladimir
Buchelnikov Vasiliy
Entel Peter
First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys
MATEC Web of Conferences
author_facet Sokolovskiy Vladimir
Buchelnikov Vasiliy
Entel Peter
author_sort Sokolovskiy Vladimir
title First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys
title_short First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys
title_full First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys
title_fullStr First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys
title_full_unstemmed First-principles and Monte Carlo studies of C-doped Ni45Co5Mn37In13 Heusler alloys
title_sort first-principles and monte carlo studies of c-doped ni45co5mn37in13 heusler alloys
publisher EDP Sciences
series MATEC Web of Conferences
issn 2261-236X
publishDate 2015-01-01
description 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.
url http://dx.doi.org/10.1051/matecconf/20153305004
work_keys_str_mv AT sokolovskiyvladimir firstprinciplesandmontecarlostudiesofcdopedni45co5mn37in13heusleralloys
AT buchelnikovvasiliy firstprinciplesandmontecarlostudiesofcdopedni45co5mn37in13heusleralloys
AT entelpeter firstprinciplesandmontecarlostudiesofcdopedni45co5mn37in13heusleralloys
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