Composition dependence of fundamental properties of Cd1-xCoxTe magnetic semiconductor alloys

Ab initio calculations based on density functional theory have been performed using the full-potential augmented-plane-wave method so as to investigate the composition dependence of the electronic structure and fundamental properties of hypothetical zinc-blende Cd 1 - x Co x Te magnetic semiconducto...

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Bibliographic Details
Published in:Journal of computational electronics 2016-06, Vol.15 (2), p.473-478
Main Authors: Zerroug, S., Gueddim, A., Bouarissa, N.
Format: Article
Language:English
Subjects:
Alloys
Approximation
Cadmium telluride
Composition
Compressibility
Density functional theory
Electrical Engineering
Electronic structure
Energy
Engineering
Ferromagnetism
Magnetic alloys
Magnetic properties
Magnetic semiconductors
Mathematical and Computational Engineering
Mathematical and Computational Physics
Mechanical Engineering
Molecular beam epitaxy
Optical and Electronic Materials
Plane waves
Semiconductor materials
Semiconductors
Spintronics
Theoretical
Zincblende
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Summary:Ab initio calculations based on density functional theory have been performed using the full-potential augmented-plane-wave method so as to investigate the composition dependence of the electronic structure and fundamental properties of hypothetical zinc-blende Cd 1 - x Co x Te magnetic semiconductor alloys at low Co concentrations. To treat the exchange and correlation energies, the generalized gradient approximation (GGA) of Perdew–Burke–Ernzerhof has been used. In addition, the modified Becke–Johnson exchange potential with the GGA approach is used for the band structure providing high accuracy. It is found that the addition of a small amount of Co atoms in the Cd 1 - x Co x Te makes the latter less compressible, ferromagnetic and exhibiting a half metallic character. Besides, the composition dependence of the real and imaginary parts of the dielectric function has been examined and discussed. The information derived from the present study may be useful for spintronics technological applications.
ISSN:1569-8025
1572-8137
DOI:10.1007/s10825-016-0802-9