Generalized susceptibility of Sc metal

The generalized magnetic susceptibility chi(vector q) of Sc metal was determined from accurate Augmented Plane Wave (APW) method calculations of their energy band structure using a novel computational scheme developed as an extension of the work of Lehmann and Taut and Jepsen and Andersen on the density of states problem. The procedure yields simple analytic expressions for the chi(vector q) integral inside a tetrahedral microzone of the Brillouin zone which depends only on the volume of the tetrahedron and the differences of the energies only at its corners. Constant matrix element results were obtained for Sc which show very good agreement with the results of Liu, Gupta and Sinha and with a first maxima in chi(vector q) at (0,0,0.31)2π/c vs (0,0,0.35)2π/c obtained by Liu et al. which relates very well to dilute rare-earth alloy magnetic ordering data vector q/sub m/ = (0,0,0.28) 2π/c and to kink in the LA phonon dispersion curve at (0,0,0.27) 2π/c. (auth)