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Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy

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Main Authors: Singh, Mukhtiyar P., Saini, Hardev S., Thakur, Jyoti, Ali Hussain, Reshak, Prof. Dr., Kashyap, Manish K.
Other Authors: msphysik09@gmail.com
Format: Article
Language:English
Published: Elsevier Ltd. 2014
Subjects:
DFT
Disorder
Half-metallicity
Heusler alloys
Online Access:http://dspace.unimap.edu.my:80/dspace/handle/123456789/35869
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spelling my.unimap-358692014-06-25T04:05:07Z Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy Singh, Mukhtiyar P. Saini, Hardev S. Thakur, Jyoti Ali Hussain, Reshak, Prof. Dr. Kashyap, Manish K. msphysik09@gmail.com hardevdft@gmail.com maalidph@yahoo.co.uk manishdft@gmail.com DFT Disorder Half-metallicity Heusler alloys Link to publisher's homepage at http://www.elsevier.com/ Heusler alloys based thin-films often exhibit a degree of atomic disorder which leads to the lowering of spin polarization in spintronic devices. We present ab-initio calculations of atomic disorder effects on spin polarization and half-metallicity of Mn2CoSi inverse Heusler alloy. The five types of disorder in Mn2CoSi have been proposed and investigated in detail. The A2a-type and B2-type disorders destroy the half-metallicity whereas it sustains for all disorders concentrations in DO3a- and A2b-type disorder and for smallest disorder concentration studied in DO3b-type disorder. Lower formation energy/atom for A2b-type disorder than other four disorders in Mn2CoSi advocates the stability of this disorder. The total magnetic moment shows a strong dependence on the disorder and the change in chemical environment. The 100% spin polarization even in the presence of disorders explicitly supports that these disorders shall not hinder the use of Mn2CoSi inverse Heusler alloy in device applications. 2014-06-25T04:05:07Z 2014-06-25T04:05:07Z 2013 Article Journal of Solid State Chemistry, vol. 208, 2013, pages 71-77 0022-4596 (Print) 1095-726X (Online) http://www.sciencedirect.com/science/article/pii/S0022459613004568 http://dspace.unimap.edu.my:80/dspace/handle/123456789/35869 10.1016/j.jssc.2013.09.041 en Elsevier Ltd.
institution Universiti Malaysia Perlis
building UniMAP Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Perlis
content_source UniMAP Library Digital Repository
url_provider http://dspace.unimap.edu.my/
language English
topic DFT
Disorder
Half-metallicity
Heusler alloys
spellingShingle DFT
Disorder
Half-metallicity
Heusler alloys
Singh, Mukhtiyar P.
Saini, Hardev S.
Thakur, Jyoti
Ali Hussain, Reshak, Prof. Dr.
Kashyap, Manish K.
Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
description Link to publisher's homepage at http://www.elsevier.com/
author2 msphysik09@gmail.com
author_facet msphysik09@gmail.com
Singh, Mukhtiyar P.
Saini, Hardev S.
Thakur, Jyoti
Ali Hussain, Reshak, Prof. Dr.
Kashyap, Manish K.
format Article
author Singh, Mukhtiyar P.
Saini, Hardev S.
Thakur, Jyoti
Ali Hussain, Reshak, Prof. Dr.
Kashyap, Manish K.
author_sort Singh, Mukhtiyar P.
title Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
title_short Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
title_full Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
title_fullStr Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
title_full_unstemmed Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
title_sort disorder dependent half-metallicity in mn2cosi inverse heusler alloy
publisher Elsevier Ltd.
publishDate 2014
url http://dspace.unimap.edu.my:80/dspace/handle/123456789/35869
_version_ 1643797916884664320
score 13.214268

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