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Erschienen in: Journal of Computational Electronics 2/2016

23.02.2016

Composition dependence of fundamental properties of \(\hbox {Cd}_{\mathrm{1-x}}\hbox {Co}_\mathrm{x}\)Te magnetic semiconductor alloys

verfasst von: S. Zerroug, A. Gueddim, N. Bouarissa

Erschienen in: Journal of Computational Electronics | Ausgabe 2/2016

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Abstract

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 \(\hbox {Cd}_{\mathrm{1-x}}\hbox {Co}_{\mathrm{x}}\hbox {Te}\) 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 \(\hbox {Cd}_{\mathrm{1-x}}\hbox {Co}_{\mathrm{x}}\hbox {Te}\) 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.

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Literatur
1.
Zurück zum Zitat Ashoori, R.C.: Electrons in artificial atoms. Nature 379, 413–419 (1996)CrossRef Ashoori, R.C.: Electrons in artificial atoms. Nature 379, 413–419 (1996)CrossRef
2.
Zurück zum Zitat Ohno, H.: Making nonmagnetic semiconductors ferromagnetic. Science 281, 951–956 (1998)CrossRef Ohno, H.: Making nonmagnetic semiconductors ferromagnetic. Science 281, 951–956 (1998)CrossRef
3.
Zurück zum Zitat Nirmal, M., Brus, L.: Luminescence photophysics in semiconductor nanocrystals. Acc. Chem. Res. 32, 407–414 (1999) Nirmal, M., Brus, L.: Luminescence photophysics in semiconductor nanocrystals. Acc. Chem. Res. 32, 407–414 (1999)
4.
Zurück zum Zitat Wolf, S.A., Awschalom, D.D., Buhrman, R.A., Daughton, J.M., von Molnár, S., Roukes, M.L., Chtchelkanova, A.Y., Treger, D.M.: Spintronics: a spin-based electronics vision for the future. Science 294, 1488–1495 (2001)CrossRef Wolf, S.A., Awschalom, D.D., Buhrman, R.A., Daughton, J.M., von Molnár, S., Roukes, M.L., Chtchelkanova, A.Y., Treger, D.M.: Spintronics: a spin-based electronics vision for the future. Science 294, 1488–1495 (2001)CrossRef
5.
Zurück zum Zitat Žutić, I., Fabian, J., Das Sarma, S.: Spintronics: fundamentals and applications. Rev. Mod. Phys. 76, 323–410 (2004) Žutić, I., Fabian, J., Das Sarma, S.: Spintronics: fundamentals and applications. Rev. Mod. Phys. 76, 323–410 (2004)
6.
Zurück zum Zitat Awschalom, D.D., Flatté, M.E.: Challenges for semiconductor spintronics. Nat. Phys. 3, 153–159 (2007)CrossRef Awschalom, D.D., Flatté, M.E.: Challenges for semiconductor spintronics. Nat. Phys. 3, 153–159 (2007)CrossRef
7.
Zurück zum Zitat Bouarissa, N., Zerroug, S., Siddiqui, S.A., Hajry, A.: Lattice properties, energy states and optical spectra of \({\rm Mn}_{{\rm x}}{\rm Ga}_{{\rm 1-x}}{\rm As}\) magnetic semiconductors. Superlatt. Microstruct. 64, 237–244 (2013) Bouarissa, N., Zerroug, S., Siddiqui, S.A., Hajry, A.: Lattice properties, energy states and optical spectra of \({\rm Mn}_{{\rm x}}{\rm Ga}_{{\rm 1-x}}{\rm As}\) magnetic semiconductors. Superlatt. Microstruct. 64, 237–244 (2013)
8.
Zurück zum Zitat Shen, S.: PhD thesis, University of Notre Dame, Indiana, USA 2009 and references therein Shen, S.: PhD thesis, University of Notre Dame, Indiana, USA 2009 and references therein
9.
Zurück zum Zitat Fukushima, T., Sato, K., Katayama-Yoshida, H., Dederichs, P.H.: Spinodal decomposition under layer by layer growth condition and high Curie temperature quasi-one-dimensional nano-structure in dilute magnetic semiconductors. Jpn. J. Appl. Phys. 45, L416–418 (2006)CrossRef Fukushima, T., Sato, K., Katayama-Yoshida, H., Dederichs, P.H.: Spinodal decomposition under layer by layer growth condition and high Curie temperature quasi-one-dimensional nano-structure in dilute magnetic semiconductors. Jpn. J. Appl. Phys. 45, L416–418 (2006)CrossRef
10.
Zurück zum Zitat Katayama-Yoshida, H., Sato, K., Fukushima, T., Toyoda, M., Kizaki, H., Dinh, V.A., Dederichs, P.H.: Theory of ferromagnetic semiconductors. Phys. Stat. Solidi. A 204, 15–32 (2007)CrossRef Katayama-Yoshida, H., Sato, K., Fukushima, T., Toyoda, M., Kizaki, H., Dinh, V.A., Dederichs, P.H.: Theory of ferromagnetic semiconductors. Phys. Stat. Solidi. A 204, 15–32 (2007)CrossRef
11.
Zurück zum Zitat Sato, K., Katayama-Yoshida, H., Dederichs, P.H.: High curie temperature and nano-scale spinodal decomposition phase in dilute magnetic semiconductors. Jpn. J. Appl. Phys. 44, L948–L951 (2005)CrossRef Sato, K., Katayama-Yoshida, H., Dederichs, P.H.: High curie temperature and nano-scale spinodal decomposition phase in dilute magnetic semiconductors. Jpn. J. Appl. Phys. 44, L948–L951 (2005)CrossRef
12.
Zurück zum Zitat Katayama-Yoshida, H., Sato, K., Fukushima, T., Toyoda, M., Kizaki, H., Dinh, V.A., Dederichs, P.H.: Computational nano-materials design for high-\(\text{ T }_{{\rm C}}\) ferromagnetism in wide-gap magnetic semiconductors. J. Magn. Magn. Mater. 310, 2070–2077 (2007)CrossRef Katayama-Yoshida, H., Sato, K., Fukushima, T., Toyoda, M., Kizaki, H., Dinh, V.A., Dederichs, P.H.: Computational nano-materials design for high-\(\text{ T }_{{\rm C}}\) ferromagnetism in wide-gap magnetic semiconductors. J. Magn. Magn. Mater. 310, 2070–2077 (2007)CrossRef
13.
Zurück zum Zitat Sato, K., Fukushima, T., Katayama-Yoshida, H.: Super-paramagnetic blocking phenomena and room-temperature ferromagnetism in wide band-gap dilute magnetic semiconductors (Ga, Mn)N. Jpn. J. Appl. Phys. 46, L682–L684 (2007)CrossRef Sato, K., Fukushima, T., Katayama-Yoshida, H.: Super-paramagnetic blocking phenomena and room-temperature ferromagnetism in wide band-gap dilute magnetic semiconductors (Ga, Mn)N. Jpn. J. Appl. Phys. 46, L682–L684 (2007)CrossRef
14.
Zurück zum Zitat Perdew, J.P., Burke, K., Ernzerhof, M.: Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996)CrossRef Perdew, J.P., Burke, K., Ernzerhof, M.: Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996)CrossRef
15.
Zurück zum Zitat Tran, F., Blaha, P.: Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential. Phys. Rev. Lett. 102, 226401–226405 (2009)CrossRef Tran, F., Blaha, P.: Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential. Phys. Rev. Lett. 102, 226401–226405 (2009)CrossRef
16.
Zurück zum Zitat Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN 2K, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties. In: Schwarz, K. (ed.). Techn. Universität, Wien, Austria, (2001) Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN 2K, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties. In: Schwarz, K. (ed.). Techn. Universität, Wien, Austria, (2001)
18.
Zurück zum Zitat Sharma, S., Devi, N., Verma, U.P., RajaRam, P.: Ab-initio investigations of structural, electronic, magnetic and optical properties of ferromagnetic \(\text{ Cd }_{{\rm 1-x}}\text{ Mn }_{{\rm x}}\text{ Te }\). Physica B 406, 4547–4553 (2011)CrossRef Sharma, S., Devi, N., Verma, U.P., RajaRam, P.: Ab-initio investigations of structural, electronic, magnetic and optical properties of ferromagnetic \(\text{ Cd }_{{\rm 1-x}}\text{ Mn }_{{\rm x}}\text{ Te }\). Physica B 406, 4547–4553 (2011)CrossRef
19.
Zurück zum Zitat Wei, S.H., Zunger, A.: Total-energy and band-structure calculations for the semimagnetic \(\text{ Cd }_{{\rm 1-x}}\text{ Mn }_{{\rm x}}\text{ Te }\) semiconductor alloy and its binary constituents. Phys. Rev. B 35, 2340–2365 (1987)CrossRef Wei, S.H., Zunger, A.: Total-energy and band-structure calculations for the semimagnetic \(\text{ Cd }_{{\rm 1-x}}\text{ Mn }_{{\rm x}}\text{ Te }\) semiconductor alloy and its binary constituents. Phys. Rev. B 35, 2340–2365 (1987)CrossRef
20.
Zurück zum Zitat Madelung, O., Schulz, M., Weiss, H.: Landolt-Börnstein Numerical Data and Functional Relationships in Science and Technology, vol. 17. Springer, Berlin (1982) Madelung, O., Schulz, M., Weiss, H.: Landolt-Börnstein Numerical Data and Functional Relationships in Science and Technology, vol. 17. Springer, Berlin (1982)
21.
Zurück zum Zitat Saib, S., Bouarissa, N.: High-pressure band parameters for GaAs: first principles calculations. Solid State Electron. 50, 763–768 (2006)CrossRef Saib, S., Bouarissa, N.: High-pressure band parameters for GaAs: first principles calculations. Solid State Electron. 50, 763–768 (2006)CrossRef
22.
Zurück zum Zitat Toyoda, M., Akai, H., Sato, K., Katayama-Yoshida, H.: Curie temperature of GaMnN and GaMnAs from LDA-SIC electronic structure calculations. Phys. Stat. Sol. C 3, 4155–4159 (2006)CrossRef Toyoda, M., Akai, H., Sato, K., Katayama-Yoshida, H.: Curie temperature of GaMnN and GaMnAs from LDA-SIC electronic structure calculations. Phys. Stat. Sol. C 3, 4155–4159 (2006)CrossRef
23.
Zurück zum Zitat Dinh, V.A., Toyoda, M., Sato, K., Katayama-Yoshida, H.: Exchange interaction and \(\text{ T }_{{\rm C}}\) in alkaline-earth-metal-oxide-based DMS without magnetic impurities: first principle pseudo-SIC and Monte Carlo calculation. J. Phys. Soc. Jpn. 75, 093705 (2006)CrossRef Dinh, V.A., Toyoda, M., Sato, K., Katayama-Yoshida, H.: Exchange interaction and \(\text{ T }_{{\rm C}}\) in alkaline-earth-metal-oxide-based DMS without magnetic impurities: first principle pseudo-SIC and Monte Carlo calculation. J. Phys. Soc. Jpn. 75, 093705 (2006)CrossRef
24.
Zurück zum Zitat Triboulet, R., Siffert, P.: CdTe and Related Compounds; Physics, Defects, Hetero-and Nano-Structures, Crystal Growth, Surfaces and Applications. Elsevier, Amsterdam (2010) Triboulet, R., Siffert, P.: CdTe and Related Compounds; Physics, Defects, Hetero-and Nano-Structures, Crystal Growth, Surfaces and Applications. Elsevier, Amsterdam (2010)
25.
Zurück zum Zitat Sato, K., Katayama-Yoshida, H.: Material design for transparent ferromagnets with ZnO-based magnetic semiconductors. Jpn. J. Appl. Phys. 39, L555–L558 (2000)CrossRef Sato, K., Katayama-Yoshida, H.: Material design for transparent ferromagnets with ZnO-based magnetic semiconductors. Jpn. J. Appl. Phys. 39, L555–L558 (2000)CrossRef
26.
Zurück zum Zitat Sato, K., Katayama-Yoshida, H.: Stabilization of ferromagnetic states by electron doping in Fe-, Co-, or Ni-doped ZnO. Jpn. J. Appl. Phys. 40, L334–L336 (2001)CrossRef Sato, K., Katayama-Yoshida, H.: Stabilization of ferromagnetic states by electron doping in Fe-, Co-, or Ni-doped ZnO. Jpn. J. Appl. Phys. 40, L334–L336 (2001)CrossRef
27.
Zurück zum Zitat Sato, K., Bergqvist, L., Kudrnovský, J., Dederichs, P.H., Eriksson, O., Turek, I., Sanyal, B., Bouzerar, G., Katayama-Yoshida, H., Dinh, V.A., Fukushima, T., Kizaki, H., Zeller, R.: First-principles theory of dilute magnetic semiconductors. Rev. Mod. Phys. 82, 1633–1690 (2010)CrossRef Sato, K., Bergqvist, L., Kudrnovský, J., Dederichs, P.H., Eriksson, O., Turek, I., Sanyal, B., Bouzerar, G., Katayama-Yoshida, H., Dinh, V.A., Fukushima, T., Kizaki, H., Zeller, R.: First-principles theory of dilute magnetic semiconductors. Rev. Mod. Phys. 82, 1633–1690 (2010)CrossRef
28.
Zurück zum Zitat Sato, K., Dederichs, P.H., Katayama-Yoshida, H., Kudrnovský, J.: Exchange interactions in diluted magnetic semiconductors. J. Phys. Condens. Matter 16, S5491–S5497 (2004)CrossRef Sato, K., Dederichs, P.H., Katayama-Yoshida, H., Kudrnovský, J.: Exchange interactions in diluted magnetic semiconductors. J. Phys. Condens. Matter 16, S5491–S5497 (2004)CrossRef
29.
Zurück zum Zitat Patil, S.K.R., Mangale, N.S., Khare, S.V., Marsillac, S.: Super hard cubic phases of period VI transition metal nitrides: first principles investigation. Thin Solid Films 517, 824–827 (2008) Patil, S.K.R., Mangale, N.S., Khare, S.V., Marsillac, S.: Super hard cubic phases of period VI transition metal nitrides: first principles investigation. Thin Solid Films 517, 824–827 (2008)
30.
Zurück zum Zitat Ghebouli, M.A., Choutri, H., Bouarissa, N.: Band structure, structural properties and stability of \({\rm Ca}_{{\rm x}}{\rm Mg}_{{\rm 1-x}}\text{ S }\) alloys. Phys. Scr. 87, 015701 (2013). (6pp) Ghebouli, M.A., Choutri, H., Bouarissa, N.: Band structure, structural properties and stability of \({\rm Ca}_{{\rm x}}{\rm Mg}_{{\rm 1-x}}\text{ S }\) alloys. Phys. Scr. 87, 015701 (2013). (6pp)
31.
Zurück zum Zitat Wang, C.S., Klein, B.M.: First-principles electronic structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. I. Self-consistent energy bands, charge densities, and effective masses. Phys. Rev. B 24, 3393–3416 (1981)CrossRef Wang, C.S., Klein, B.M.: First-principles electronic structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. I. Self-consistent energy bands, charge densities, and effective masses. Phys. Rev. B 24, 3393–3416 (1981)CrossRef
32.
Zurück zum Zitat Harrison, W.A.: Coulomb interactions in semiconductors and insulators. Phys. Rev. B 31, 2121–2132 (1985)CrossRef Harrison, W.A.: Coulomb interactions in semiconductors and insulators. Phys. Rev. B 31, 2121–2132 (1985)CrossRef
33.
Zurück zum Zitat Levine, Z.H., Allan, D.C.: Linear optical response in silicon and germanium including self-energy effects. Phys. Rev. Lett. 63, 1719–1722 (1989)CrossRef Levine, Z.H., Allan, D.C.: Linear optical response in silicon and germanium including self-energy effects. Phys. Rev. Lett. 63, 1719–1722 (1989)CrossRef
34.
Zurück zum Zitat Duan, H., Chen, X., Huang, Y., Zhou, X., Sun, L., Lu, W.: Composition-dependent electronic properties, optical transitions, and anionic relaxations of \(\text{ Cd }_{{\rm 1-x}}\text{ Zn }_{{\rm x}}\text{ Te }\) alloys from first principles. Phys. Rev. B 76, 035209 (2007). (12pp)CrossRef Duan, H., Chen, X., Huang, Y., Zhou, X., Sun, L., Lu, W.: Composition-dependent electronic properties, optical transitions, and anionic relaxations of \(\text{ Cd }_{{\rm 1-x}}\text{ Zn }_{{\rm x}}\text{ Te }\) alloys from first principles. Phys. Rev. B 76, 035209 (2007). (12pp)CrossRef
35.
Zurück zum Zitat Bouarissa, N.: The effect of hydrostatic pressure on the electronic and optical properties of InP. Solid State Electron. 44, 2193–2198 (2000)CrossRef Bouarissa, N.: The effect of hydrostatic pressure on the electronic and optical properties of InP. Solid State Electron. 44, 2193–2198 (2000)CrossRef
Metadaten
Titel
Composition dependence of fundamental properties of Te magnetic semiconductor alloys
verfasst von
S. Zerroug
A. Gueddim
N. Bouarissa
Publikationsdatum
23.02.2016
Verlag
Springer US
Erschienen in
Journal of Computational Electronics / Ausgabe 2/2016
Print ISSN: 1569-8025
Elektronische ISSN: 1572-8137
DOI
https://doi.org/10.1007/s10825-016-0802-9

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