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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
http://hdl.handle.net/123456789/8423 |
| ISSN: | 0304-8853 |
| Appears in Collections: | School of Microelectronic Engineering (Articles)
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