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P. Blaha, K. Schwarz, P. Sorantin and S. B. Trickey, “Full-Potential, Linearized Augmented Plane Wave Programs for Crystalline Systems,” Computer Physics Communications, Vol. 59, No. 2, 1990, pp. 399-415. doi:10.1016/0010-4655(90)90187-6

has been cited by the following article:

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

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

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

  JOURNAL NAME: World Journal of Nano Science and Engineering, Vol.3 No.3, September 5, 2013

  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.