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First-principles Calculations of Energetic Properties of Vacancies, Mn-atomic Defects in CdTe

Published online by Cambridge University Press:  01 February 2011

Ghouti Merad ,
Benali Rerbal ,
Hafid Aourag  and
Joël Cibert
Ghouti Merad
Affiliation:
[email protected], LEPM, URMER, A. Belkaid University, BP 119, Tlemcen, 13000, Algeria, 00 213 43 21 58 87, 00 213 43 21 58 87
Benali Rerbal
Affiliation:
[email protected], LEPM, URMER, A. Belkaid University, BP 119, Tlemcen, 13000, Algeria
Hafid Aourag
Affiliation:
[email protected], LEPM, URMER, A. Belkaid University, BP 119, Tlemcen, 13000, Algeria
Joël Cibert
Affiliation:
[email protected], Laboratoire Louis Néel, CNRS, BP 166, Grenoble, 38042, France
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Abstract

An atomistic modelling based on density functional theory within the framework of the local density approximation is used to show the trends in the energetic properties of single and double defects in CdTe semiconductor, without phase transformation. A systematic study of vacancies, Mn substituting Cd atoms in a supercell structure consisting of 16-atoms is presented. The changes of structural properties and lattice parameters due to the addition of Mn-atomic type defects in CdTe matrix are compared, and the number of vacancies is also determined from the total energy calculations.

Keywords

CdTeMn
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 959: Symposium M – Quantum Dots—Growth, Behavior and Applications , 2006 , 0959-M17-01
Copyright
Copyright © Materials Research Society 2007

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References

REFERENCES

1. Ruzin, A., Torchinski, I. and Goldfarb, I., Semicond. Sci. Technol. 19 644 (2004).Google Scholar
2. Berding, M. A., Phys. Rev. B 60, 8943–8950 (1999)Google Scholar
3. Léger, Y., Besombes, L., Fernandez-Rossier, J., Maingault, L. and Mariette, H., Phys. Rev. Lett 97, 107401 (2006).Google Scholar
4. Bacher, G., Maksimov, A. A., Schmig, H., Kulakovskii, V. D., Welsch, M. K., Forchel, A., Dorozhkin, P. S., Chernenko, A. V., Lee, S., Dobrowolska, M., and Furdyna, J. K., Phys. Rev. Lett. 89, 127201 (2002).Google Scholar
5. Furdyna, J. K. and kossut, J., in Dilluted Magnetic Semiconductors, edited by Furdyna, J. K. and J., Kossut, Semiconductors and semimetals Vol. 25 (Academic, San Diego, 1988).Google Scholar
6. Brandt, N. B. and Moshchalkov, V.V., adv. Phys. 33, 193 (1984).Google Scholar
7. Furdyna, J. K., J. Appl. Phys. 53, 7637 (1982).Google Scholar
8. Gaj, J. A., J. Phys. Soc. Jpn. Suppl. A 49, 797 (1980).Google Scholar
9. Galazka, R. R., in Semimagnetic Semiconductors based on HgMnTe and CdMnTe, Proceeding of the 14th International Conference on the Physics of Semiconductors, edited by Wilson, B. L. H., IOP conf. Proc. No. 43 (Institute of Physics and Physical Society, London, 1979), p. 133.Google Scholar
10. Gösele, U., Plössl, A., and Tann, T. Y., in Process Physics and Modelling in Semiconductors Technology, edited by Srinivasan, G. R., Murthy, C. S., and Dunham, S. T. (Electrochemical society, Pennington, NJ, 1996), p. 309.Google Scholar
11. Shwarz, K., Blaha, P., and Madsen, G. K. H., Comp. Phys. Commun. 147, 71 (2002); K. Schwarz and P. Blaha, Comp. Mat. Sci., 28, 259 (2003).Google Scholar
12. Singh, D. J., Plane Waves, Pseudopotential and the LAPW Method, (Kluwer Academic Publishers 1994).Google Scholar
13. Schwarz, K., J. Sol. Stat. Chem, 176, 319 (2003).Google Scholar
14. Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J., WIEN2K, An augmentedplane-wave + local orbitals program for calculating crystal properties, Schwarz, K., (Techn. Wien, Austria, 2001).Google Scholar
15. Perdew, J. P. and Wang, Y., Phys. Rev. B 45 (1992) 13244.Google Scholar
16. Monkhorst, H. J. and Pack, J.D., Phys. Rev. B 13 (1976) 518 17 Intrinsic Properties of Group IV Elements and III-V, II-VI, and I-VII Compounds, edited by O. Madelung and M. Schulz, Landolt- Börnstein, New Series, Group III, Vol. 22 Pt. a, (Springer-Verlag, Berlin, 1987)Google Scholar
18. Murnaghan, F. D., Proc. Natl. Acad. Sci.USA, 30 (1944) 5390.Google Scholar
19. Kanoun, M.B., Sekkal, W., Aourag, H., Merad, G., Phys. Lett. A 272 113 (2000).Google Scholar
20. Wei, S.H., Zunger, A., Phys. Rev. B 60 (1999) 5404.Google Scholar
21. Christensen, N.E., Christensen, O.B., Phys. Rev. B 33 (1986) 4739.Google Scholar
22. Merad, A.E., Kanoun, M.B., and Goumri-Said, S., J. Magn. Magn. Mat. 302, 536 (2006)Google Scholar