ELECTRONIC-STRUCTURE OF ZN1-XCUXCR2SE4

Some electronic properties of the metallic, ferromagnetic spinels Zn1-xCuxCr2Se4 are presented. The picture of the band structure for these solid solutions at T = 4.2 K is an extension of the Lotgering-Van Stapele model completed by a set of important exchange and band parameters, calculated with the help of the Stoner-Edwards-Wohlfarth theory. The main features of the band structure are: the wide conduction band is constructed from the 4s and 4p orbitals of Cu and Cr and the narrow d band of the delocalized d-electrons of the cations lies below it; the lower part of the valence band is dominantly constructed from the anion's p orbitals whereas the very narrow bands having mainly d-character range over the higher energy region of the valence band. © 1989.