Physical Properties of CrSb/InP(001): Effect of Interface in Half-Metallic

Author(s)
Arash Boochani^{*},
Shahram Solymani,
Sahar Rezaee,
Negin Beryani Nezafat,
Sara Fakhrai Tadayon,
Amin Aminian

Affiliation(s)

Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran.

Young Researchers and Elite Club, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran.

Department of Physics, Kermanshah Science and Research Branch, Kermanshah, Iran.

Department of Physics, Faculty of Science, University of Guilan, Guilan, Iran.

Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran.

Young Researchers and Elite Club, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran.

Department of Physics, Kermanshah Science and Research Branch, Kermanshah, Iran.

Department of Physics, Faculty of Science, University of Guilan, Guilan, Iran.

ABSTRACT

In this study, density functional theory in improved flat waves’ framework has been used. First of all, characterization, elastic and half-metallic properties of the CrSb-ZB compound at (GGA & LDA) and GGA + U approximation are calculated. The elastic calculations indicate that the CrSb-ZB is a ductile material. However, the calculation of Deby temperature indicates that the CrSb-ZB is meta-stable. The half-metallicity character is also preserved at CrSb/InP (001) interface by GGA + U. The conduction band minimum (CBM) of CrSb in the minority spin case lies about 1.26 eV above that of GaSb, suggesting that the major spin can be injected into GaSb without being flipped to the conduction bands of the minor spin.

Cite this paper

A. Boochani, S. Solymani, S. Rezaee, N. Nezafat, S. Tadayon and A. Aminian, "Physical Properties of CrSb/InP(001): Effect of Interface in Half-Metallic,"*World Journal of Nano Science and Engineering*, Vol. 3 No. 3, 2013, pp. 79-86. doi: 10.4236/wjnse.2013.33011.

A. Boochani, S. Solymani, S. Rezaee, N. Nezafat, S. Tadayon and A. Aminian, "Physical Properties of CrSb/InP(001): Effect of Interface in Half-Metallic,"

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[2] G. Schmidt, D. Ferrand, L. W. Molenkamp, A. T. Filip and B. J. van Wees, “Fundamental Obstacle for Electrical Spin Injection from a Ferromagnetic Metal into a Diffusive Semiconductor,” Physical Review B, Vol. 62, No. 8, 2000, pp. R4790-R4793. doi:10.1103/PhysRevB.62.R4790

[3] S. Picozzi, A. Continenza and A. J. Freeman, “Role of Structural Defects on the Half-Metallic Character of Co

[4] L. J. Singh, Z. H. Barber, Y. Miyoshi, W. R. Branford and L. F. Cohen, “Structural and Transport Studies of Stoichiometric and Off-Stoichiometric Thin Films of the Full Heusler Alloy Co2MnSi,” Journal of Applied Physics, Vol. 95, No. 11, 2004, p. 7231. doi:10.1063/1.1667857

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[11] B.-G. Liu, “Robust Half-Metallic Ferromagnetism in Zinc-Blende CrSb,” Physical Review B, Vol. 67, No. 17, 2003, Article ID: 172411. doi:10.1103/PhysRevB.67.172411

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[13] J. Perdew, K. Burke and M. Enzerhof, “Generalized Gradient Approximation Made Simple,” Physical Review Letters, Vol. 77, No. 18, 1996, pp. 3865-3868. doi:10.1103/PhysRevLett.77.3865

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[17] A. Mellouki, L. Kalarasse, B. Bennecer and F. Kalarasse, “First Principles Calculations of the Structural and Elastic Properties of the Filled Tetrahedral Compounds LiCdX (X = N, P, As),” Computational Materials Science, Vol. 42, No. 4, 2008, pp. 579-583.

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[25] E. Sartipi, A. Hojabri, A. Bouchani and M. H. Shakib, “First Principles Study of Half-metallic Properties at MnSb/ GaSb(001) Interface,” Chinese Journal of Chemical Physics, Vol. 24, No. 2, 2011, p. 155.

[26] E. Hazrati, S. J. Hashemifar, H. Akbarzadeh, “First Principles Study of Bulk CrSe and CrSe/ZnSe(001) Interface,” Journal of Applied Physics, Vol. 104, No. 11, 2008, Article ID: 113719. doi:10.1063/1.3039510

[27] R. Q. Wu, G. W. Peng and Y. P. Feng, “Properties of VAs/GaAs Interface from First Principles Study,” Journal of Physics: Conference Series, Vol. 29, No. 1, 2006, p. 150. doi:10.1088/1742-6596/29/1/028

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