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

Arash Boochani, Shahram Solymani, Sahar Rezaee, Negin Beryani Nezafat, Sara Fakhrai Tadayon, Amin Aminian

Department of Physics, Faculty of Science, University of Guilan, Guilan, Iran.
Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran.
Department of Physics, Kermanshah Science and Research Branch, Kermanshah, Iran.
Young Researchers and Elite Club, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran.

DOI: 10.4236/wjnse.2013.33011                

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.

Keywords

Spintronic; Interface; Crsb-Inp; Density Functional Theory; GGA + U

Conflicts of Interest

The authors declare no conflicts of interest.

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