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Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te)

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Main Authors: Saeed, Y., Nazir, S., Shaukat, A., Reshak, Ali H.
Format: Article
Language:English
Published: Elsevier B. V. 2010
Subjects:
Ab initio calculations
Density functional theory
Dilute magnetic semiconductors
Electronic and magnetic properties
Online Access:http://dspace.unimap.edu.my/xmlui/handle/123456789/8423
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spelling my.unimap-84232014-06-27T14:23:40Z Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te) Saeed, Y. Nazir, S. Shaukat, A. Reshak, Ali H. Ab initio calculations Density functional theory Dilute magnetic semiconductors Electronic and magnetic properties Link to publisher' homepage at http://www.elsevier.com/ Ab-initio calculations are performed to investigate the structural, electronic and magnetic properties of spin-polarized diluted magnetic semiconductors composed of II-VI compounds Cd1-x Cox X (X=S, Se, Te) at x=0.25. From the calculated results of band structure and density of states, the half-metallic character and stability of ferromagnetic state for Cd1-x Cox S, Cd1-x Cox Se and Cd1-x Cox Te alloys are determined. It is found that the tetrahedral crystal field gives rise to triple degeneracy t2g and double degeneracy eg . Furthermore, we predict the values of spinexchange splitting energies +x (d) and +x (p-d) and exchange constants N0 α and N0 β produced by the Co 3d states. Calculated total magnetic moments and the robustness of half-metallicity of Cd1-x Cox X (X=S, Se, Te) with respect to the variation in lattice parameters are also discussed. We also extend our calculations to x=0.50, 0.75 for S compounds in order to observe the change due to increase in Co. 2010-08-02T01:40:53Z 2010-08-02T01:40:53Z 2010-10 Article Journal of Magnetism and Magnetic Materials, vol.322 (20), October 2010, pages 3214-3222 0304-8853 http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TJJ-5093N8V-1&_user=1659113&_coverDate=10%2F31%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000054070&_version=1&_urlVersion=0&_userid=1659113&md5=dbc1ede77c62934ccba14b363ca45f13 http://hdl.handle.net/123456789/8423 en Elsevier B. V.
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 Ab initio calculations
Density functional theory
Dilute magnetic semiconductors
Electronic and magnetic properties
spellingShingle Ab initio calculations
Density functional theory
Dilute magnetic semiconductors
Electronic and magnetic properties
Saeed, Y.
Nazir, S.
Shaukat, A.
Reshak, Ali H.
Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te)
description Link to publisher' homepage at http://www.elsevier.com/
format Article
author Saeed, Y.
Nazir, S.
Shaukat, A.
Reshak, Ali H.
author_facet Saeed, Y.
Nazir, S.
Shaukat, A.
Reshak, Ali H.
author_sort Saeed, Y.
title Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te)
title_short Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te)
title_full Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te)
title_fullStr Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te)
title_full_unstemmed Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te)
title_sort ab-initio calculations of co-based diluted magnetic semiconductors cd1-x cox x (x=s, se, te)
publisher Elsevier B. V.
publishDate 2010
url http://dspace.unimap.edu.my/xmlui/handle/123456789/8423
_version_ 1643789173253996544
score 13.23648

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