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Physical Properties of CrSb/InP(001): Effect of Interface in Half-Metallic
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 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
- 1 Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran
- 2 Young Researchers and Elite Club, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran
- 3 Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran
- 4 Young Researchers and Elite Club, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran
- 5 Department of Physics, Kermanshah Science and Research Branch, Kermanshah, Iran
- 6 Department of Physics, Faculty of Science, University of Guilan, Guilan, Iran
World Journal of Nano Science and Engineering·Volume 03 (2013)·Pages 79–86·Published 6 September 2013·DOI10.4236/wjnse.2013.33011
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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.
KeywordsSpintronicInterfaceCrsb-InpDensity Functional TheoryGGA + U
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