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Title: Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-x Cox X (X=S, Se, Te)
Authors: Saeed, Y.
Nazir, S.
Shaukat, A.
Reshak, Ali H.
Keywords: Ab initio calculations;Density functional theory;Dilute magnetic semiconductors;Electronic and magnetic properties
Issue Date: Oct-2010
Publisher: Elsevier B. V.
Citation: Journal of Magnetism and Magnetic Materials, vol.322 (20), October 2010, pages 3214-3222
Abstract: 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.
Description: Link to publisher' homepage at http://www.elsevier.com/
URI: 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
ISSN: 0304-8853
Appears in Collections:School of Microelectronic Engineering (Articles)

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