Electronic structure and magnetism of diluted magnetic semiconductor (Zn, Cr)Te

Electronic band structures of magnetic semiconductors based on zinc-blende type II-VI compounds such as Zn1-xCrxTe (x = 1, 0.5 and 0.25) are calculated for non-magnetic (NM), ferromagnetic (F) and antiferromagnetic (AF) states, by using the full-potential linearized augmented-plane-wave (FLAPW) method. In the F state, the half-metallic behavior is found and the magnetic polarization antiparallel to the Cr moment is induced at the neighboring Te-site. By calculating the total energy of each state, we have found that the F state is always stable compared with the NM state. In the case of the hypothetical zinc-blende type CrTe, the F state has been found to be stable compared with the AF state described by Q = (0, 0, 2 pi /a). (C) 2001 Elsevier Science B.V. All rights reserved.