Electronic structures of III-V based ferromagnetic semiconductors: half-metallic phase

Abstract

Electronic structures of Ga1-xMnxAs (x = 0.063, 0.125) are investigated using the local density approximation (LDA) and LDA + U band calculations. Both the LDA and LDA + U yield the half-metallic ground states for (Ga0.938Mn0.063)As, but only the LDA + U electronic structures art: consistent with photoemission spectra. The states at the Fermi level are mainly of As 4p character, which mediates the RKKY-type magnetic intercation among Mn ions. (C) 2000 Elsevier Science B.V. All rights reserved.