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

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F10%3A00012171" target="_blank" >RIV/60076658:12640/10:00012171 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-xCoxX (X = S, Se, Te)
Original language description
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-xCoxX (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-xCoxS, Cd1-xCoxSe and Cd1-xCoxTe alloys are determined. It is found that the tetrahedral crystal field gives rise to triple degeneracy t(2g) and double degeneracy e(g). Furthermore, we predict the values of spin-exchange splitting energies Delta(x)(d) and Delta(x)(p-d) and exchange constants N-0 alpha and N-0 beta produced by the Co 3d states. Calculated total magnetic moments and the robustness of half-metallicity of Cd1-xCoxX (X = S, Se, Te) withrespecttothevariationinlattice 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.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BO - Biophysics
OECD FORD branch
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Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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